Sunday, August 4, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-2-sulfanyl-3-(3-thienyl)prop-2-enoic acid
CAS Name: (E)-2-mercapto-3-(3-thiophenyl)-2-propenoic acid
IUPAC NAME: (E)-2-sulfanyl-3-thiophen-3-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-2-sulfanyl-3-thiophen-3-yl-prop-2-enoic acid
MOLECULAR FORMULA: C7H6O2S2
MOLECULAR WEIGHT: 186.25134
SMILES: C1=CSC=C1/C=C(\C(=O)O)/S
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Product OPENEYE NAME: (E)-2-[[(E)-1-carboxy-2-(2-furyl)vinyl]disulfanyl]-3-(2-furyl)prop-2-enoic acid
CAS Name: (E)-2-[[(E)-1-carboxy-2-(2-furanyl)ethenyl]disulfanyl]-3-(2-furanyl)-2-propenoic acid
IUPAC NAME: (E)-2-[[(E)-1-carboxy-2-(furan-2-yl)ethenyl]disulfanyl]-3-(furan-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-2-[[(E)-1-(furan-2-yl)-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]disulfanyl]prop-2-enoic acid
MOLECULAR FORMULA: C14H10O6S2
MOLECULAR WEIGHT: 338.3556
SMILES: C1=COC(=C1)/C=C(/SS/C(=C/C2=CC=CO2)/C(=O)O)\C(=O)O
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Product OPENEYE NAME: N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-3-(ethylsulfonylamino)benzamide
CAS Name: N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-3-(ethylsulfonylamino)benzamide
IUPAC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(ethylsulfonylamino)benzamide
SYSTEMATIC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(ethylsulfonylamino)benzamide
MOLECULAR FORMULA: C19H27N3O4S2
MOLECULAR WEIGHT: 425.56538
SMILES: CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C
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Product OPENEYE NAME: (4-nitrophenyl) 3-(propanoylamino)benzoate
CAS Name: 3-(1-oxopropylamino)benzoic acid (4-nitrophenyl) ester
IUPAC NAME: (4-nitrophenyl) 3-(propanoylamino)benzoate
SYSTEMATIC NAME: (4-nitrophenyl) 3-(propanoylamino)benzoate
MOLECULAR FORMULA: C16H14N2O5
MOLECULAR WEIGHT: 314.29276
SMILES: CCC(=O)NC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (4-nitrophenyl) 3-(butanoylamino)benzoate
CAS Name: 3-(1-oxobutylamino)benzoic acid (4-nitrophenyl) ester
IUPAC NAME: (4-nitrophenyl) 3-(butanoylamino)benzoate
SYSTEMATIC NAME: (4-nitrophenyl) 3-(butanoylamino)benzoate
MOLECULAR FORMULA: C17H16N2O5
MOLECULAR WEIGHT: 328.31934
SMILES: CCCC(=O)NC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-[3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-4-carboxamide
CAS Name: N-[3-[[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethylamino]-oxomethyl]phenyl]-4-pyridinecarboxamide
IUPAC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H26N4O3S
MOLECULAR WEIGHT: 438.54254
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=NC=C3
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Product OPENEYE NAME: (4-nitrophenyl) 2-(sec-butylsulfonylamino)benzoate
CAS Name: 2-(butan-2-ylsulfonylamino)benzoic acid (4-nitrophenyl) ester
IUPAC NAME: (4-nitrophenyl) 2-(butan-2-ylsulfonylamino)benzoate
SYSTEMATIC NAME: (4-nitrophenyl) 2-(butan-2-ylsulfonylamino)benzoate
MOLECULAR FORMULA: C17H18N2O6S
MOLECULAR WEIGHT: 378.39962
SMILES: CCC(C)S(=O)(=O)NC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]benzamide; oxalic acid
CAS Name: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]benzamide; oxalic acid
IUPAC NAME: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide; oxalic acid
SYSTEMATIC NAME: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide; ethanedioic acid
MOLECULAR FORMULA: C23H33N3O8S2
MOLECULAR WEIGHT: 543.65342
SMILES: CCCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C.C(=O)(C(=O)O)O
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Product OPENEYE NAME: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]benzamide
CAS Name: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]benzamide
IUPAC NAME: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide
SYSTEMATIC NAME: 3-(butylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide
MOLECULAR FORMULA: C21H31N3O4S2
MOLECULAR WEIGHT: 453.61854
SMILES: CCCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H14N2O6S
MOLECULAR WEIGHT: 350.34646
SMILES: CC.C1=CC=C2C(=C1)C(=O)OC3=CC(=C(C=C3)[N+](=O)[O-])S(=O)(=O)N2
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8N2O6S
MOLECULAR WEIGHT: 320.27742
SMILES: C1=CC=C2C(=C1)C(=O)OC3=CC(=C(C=C3)[N+](=O)[O-])S(=O)(=O)N2
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Product OPENEYE NAME: N-[3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[3-[[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C22H25N3O3S2
MOLECULAR WEIGHT: 443.5822
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-[3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CAS Name: N-[3-[[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethylamino]-oxomethyl]phenyl]-3-pyridinecarboxamide
IUPAC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C23H26N4O3S
MOLECULAR WEIGHT: 438.54254
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3
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Product OPENEYE NAME: N-[3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylcarbamoyl]phenyl]pyrazine-2-carboxamide
CAS Name: N-[3-[[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethylamino]-oxomethyl]phenyl]-2-pyrazinecarboxamide
IUPAC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C22H25N5O3S
MOLECULAR WEIGHT: 439.5306
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=NC=CN=C3
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Product OPENEYE NAME: 3-(benzenesulfonamido)-N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]benzamide; oxalic acid
CAS Name: 3-(benzenesulfonamido)-N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]benzamide; oxalic acid
IUPAC NAME: 3-(benzenesulfonamido)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide; oxalic acid
SYSTEMATIC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(phenylsulfonylamino)benzamide; ethanedioic acid
MOLECULAR FORMULA: C25H29N3O8S2
MOLECULAR WEIGHT: 563.64306
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O
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Product OPENEYE NAME: N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-3-(2-thienylsulfonylamino)benzamide
CAS Name: N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
IUPAC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SYSTEMATIC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
MOLECULAR FORMULA: C21H25N3O4S3
MOLECULAR WEIGHT: 479.6359
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CS3
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Product OPENEYE NAME: (4-nitrophenyl) 3-[methyl(2-methylpropanoyl)amino]benzoate
CAS Name: 3-[methyl-(2-methyl-1-oxopropyl)amino]benzoic acid (4-nitrophenyl) ester
IUPAC NAME: (4-nitrophenyl) 3-[methyl(2-methylpropanoyl)amino]benzoate
SYSTEMATIC NAME: (4-nitrophenyl) 3-[methyl(2-methylpropanoyl)amino]benzoate
MOLECULAR FORMULA: C18H18N2O5
MOLECULAR WEIGHT: 342.34592
SMILES: CC(C)C(=O)N(C)C1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-formamido-3-thienyl)benzoic acid
CAS Name: 2-(2-formamido-3-thiophenyl)benzoic acid
IUPAC NAME: 2-(2-formamidothiophen-3-yl)benzoic acid
SYSTEMATIC NAME: 2-(2-formamidothiophen-3-yl)benzoic acid
MOLECULAR FORMULA: C12H9NO3S
MOLECULAR WEIGHT: 247.26976
SMILES: C1=CC=C(C(=C1)C2=C(SC=C2)NC=O)C(=O)O
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Product OPENEYE NAME: N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide; oxalic acid
CAS Name: N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-3-(1-oxopropylamino)benzamide; oxalic acid
IUPAC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide; oxalic acid
SYSTEMATIC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide; ethanedioic acid
MOLECULAR FORMULA: C22H29N3O7S
MOLECULAR WEIGHT: 479.54656
SMILES: CCC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C.C(=O)(C(=O)O)O
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Product OPENEYE NAME: N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide
CAS Name: N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-3-(1-oxopropylamino)benzamide
IUPAC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide
SYSTEMATIC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide
MOLECULAR FORMULA: C20H27N3O3S
MOLECULAR WEIGHT: 389.51168
SMILES: CCC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C
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Product OPENEYE NAME: N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-2-(sec-butylsulfonylamino)benzamide
CAS Name: 2-(butan-2-ylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]benzamide
IUPAC NAME: 2-(butan-2-ylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide
SYSTEMATIC NAME: 2-(butan-2-ylsulfonylamino)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide
MOLECULAR FORMULA: C21H31N3O4S2
MOLECULAR WEIGHT: 453.61854
SMILES: CCC(C)S(=O)(=O)NC1=CC=CC=C1C(=O)NCCSCC2=CC=C(O2)CN(C)C
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Product OPENEYE NAME: N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-3-(3-pyridylsulfonylamino)benzamide
CAS Name: N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-3-(3-pyridinylsulfonylamino)benzamide
IUPAC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(pyridin-3-ylsulfonylamino)benzamide
SYSTEMATIC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-(pyridin-3-ylsulfonylamino)benzamide
MOLECULAR FORMULA: C22H26N4O4S2
MOLECULAR WEIGHT: 474.59624
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CN=CC=C3
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Product OPENEYE NAME: N-[3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-2-carboxamide; oxalic acid
CAS Name: N-[3-[[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethylamino]-oxomethyl]phenyl]-2-pyridinecarboxamide; oxalic acid
IUPAC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-2-carboxamide; oxalic acid
SYSTEMATIC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-2-carboxamide; ethanedioic acid
MOLECULAR FORMULA: C25H28N4O7S
MOLECULAR WEIGHT: 528.57742
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=N3.C(=O)(C(=O)O)O
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Product OPENEYE NAME: N-[3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-2-carboxamide
CAS Name: N-[3-[[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethylamino]-oxomethyl]phenyl]-2-pyridinecarboxamide
IUPAC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-2-carboxamide
SYSTEMATIC NAME: N-[3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylcarbamoyl]phenyl]pyridine-2-carboxamide
MOLECULAR FORMULA: C23H26N4O3S
MOLECULAR WEIGHT: 438.54254
SMILES: CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=N3
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