Product OPENEYE NAME: 4-(2-hydroperoxy-2-phenyl-propyl)-1,3,5-trimethyl-pyrazole
CAS Name: 4-(2-hydroperoxy-2-phenylpropyl)-1,3,5-trimethylpyrazole
IUPAC NAME: 4-(2-hydroperoxy-2-phenylpropyl)-1,3,5-trimethylpyrazole
SYSTEMATIC NAME: 4-[2-(dioxidanyl)-2-phenyl-propyl]-1,3,5-trimethyl-pyrazole
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CC1=C(C(=NN1C)C)CC(C)(C2=CC=CC=C2)OO
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Product OPENEYE NAME: N-[(5E,6E)-6-[2-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)ethylidene]-5-[ethoxy(hydroxy)methylene]-2-oxo-pyran-3-yl]benzamide
CAS Name: N-[(5E,6E)-6-[2-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylidene]-5-[ethoxy(hydroxy)methylidene]-2-oxo-3-pyranyl]benzamide
IUPAC NAME: N-[(5E,6E)-6-[2-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylidene]-5-[ethoxy(hydroxy)methylidene]-2-oxopyran-3-yl]benzamide
SYSTEMATIC NAME: N-[(5E,6E)-6-[2-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]ethylidene]-5-[ethoxy(oxidanyl)methylidene]-2-oxidanylidene-pyran-3-yl]benzamide
MOLECULAR FORMULA: C25H25NO7
MOLECULAR WEIGHT: 451.4685
SMILES: CCO/C(=C/1\C=C(C(=O)O\C1=C\C=C2C(=O)CC(CC2=O)(C)C)NC(=O)C3=CC=CC=C3)/O
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Product OPENEYE NAME: N-[(5E,6E)-5-[ethoxy(hydroxy)methylene]-2-oxo-6-[2-(2,4,6-trioxohexahydropyrimidin-5-ylidene)ethylidene]pyran-3-yl]benzamide
CAS Name: N-[(5E,6E)-5-[ethoxy(hydroxy)methylidene]-2-oxo-6-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylidene]-3-pyranyl]benzamide
IUPAC NAME: N-[(5E,6E)-5-[ethoxy(hydroxy)methylidene]-2-oxo-6-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylidene]pyran-3-yl]benzamide
SYSTEMATIC NAME: N-[(5E,6E)-5-[ethoxy(oxidanyl)methylidene]-2-oxidanylidene-6-[2-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylidene]pyran-3-yl]benzamide
MOLECULAR FORMULA: C21H17N3O8
MOLECULAR WEIGHT: 439.37498
SMILES: CCO/C(=C/1\C=C(C(=O)O\C1=C\C=C2C(=O)NC(=O)NC2=O)NC(=O)C3=CC=CC=C3)/O
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Product OPENEYE NAME: (E)-2-(5-methylbenzothiophen-3-yl)-3-phenyl-prop-2-enoic acid
CAS Name: (E)-2-(5-methyl-1-benzothiophen-3-yl)-3-phenyl-2-propenoic acid
IUPAC NAME: (E)-2-(5-methyl-1-benzothiophen-3-yl)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (E)-2-(5-methyl-1-benzothiophen-3-yl)-3-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C18H14O2S
MOLECULAR WEIGHT: 294.36756
SMILES: CC1=CC2=C(C=C1)SC=C2/C(=C\C3=CC=CC=C3)/C(=O)O
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MOLECULAR FORMULA: C27H24N4O
MOLECULAR WEIGHT: 420.50566
SMILES: CCN1C2=C(C3=CC=CC=CC3=N2)C(=NC4=CC=C(C=C4)C)N(C1=O)C5=CC=C(C=C5)C
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MOLECULAR FORMULA: C26H22N4O5S2
MOLECULAR WEIGHT: 534.60668
SMILES: CC(C)N1C2=C(C3=CC=CC=CC3=N2)/C(=N\S(=O)(=O)C4=CC=CC=C4)/N(C1=O)S(=O)(=O)C5=CC=CC=C5
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Product OPENEYE NAME: (2S)-5-(benzyloxycarbonylamino)-2-[(4-nitrobenzoyl)amino]pentanoic acid
CAS Name: (2S)-2-[[(4-nitrophenyl)-oxomethyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid
IUPAC NAME: (2S)-2-[(4-nitrobenzoyl)amino]-5-(phenylmethoxycarbonylamino)pentanoic acid
SYSTEMATIC NAME: (2S)-2-[(4-nitrophenyl)carbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid
MOLECULAR FORMULA: C20H21N3O7
MOLECULAR WEIGHT: 415.39664
SMILES: C1=CC=C(C=C1)COC(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (2S)-5-amino-2-[(4-nitrobenzoyl)amino]pentanoic acid
CAS Name: (2S)-5-amino-2-[[(4-nitrophenyl)-oxomethyl]amino]pentanoic acid
IUPAC NAME: (2S)-5-amino-2-[(4-nitrobenzoyl)amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[(4-nitrophenyl)carbonylamino]pentanoic acid
MOLECULAR FORMULA: C12H15N3O5
MOLECULAR WEIGHT: 281.2646
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCCN)C(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-7-oxo-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
CAS Name: 2-methyl-7-oxo-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
IUPAC NAME: 2-methyl-7-oxo-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2-methyl-7-oxidanylidene-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C7H6N4OS
MOLECULAR WEIGHT: 194.21374
SMILES: CC1=NN2C(CC(=O)N=C2S1)C#N
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Product OPENEYE NAME: 7-oxo-2-phenyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
CAS Name: 7-oxo-2-phenyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
IUPAC NAME: 7-oxo-2-phenyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 7-oxidanylidene-2-phenyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H8N4OS
MOLECULAR WEIGHT: 256.28312
SMILES: C1C(N2C(=NC1=O)SC(=N2)C3=CC=CC=C3)C#N
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Product OPENEYE NAME: 7-oxo-5,6-dihydrothiazolo[3,2-a]pyrimidine-5-carbonitrile
CAS Name: 7-oxo-5,6-dihydrothiazolo[3,2-a]pyrimidine-5-carbonitrile
IUPAC NAME: 7-oxo-5,6-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 7-oxidanylidene-5,6-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C7H5N3OS
MOLECULAR WEIGHT: 179.1991
SMILES: C1C(N2C=CSC2=NC1=O)C#N
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Product OPENEYE NAME: (1R,3R)-2-benzyl-6,8-dibenzyloxy-5-(4-benzyloxy-3-bromo-1-naphthyl)-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
CAS Name: (1R,3R)-5-(3-bromo-4-phenylmethoxy-1-naphthalenyl)-1,3-dimethyl-6,8-bis(phenylmethoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline
IUPAC NAME: (1R,3R)-2-benzyl-5-(3-bromo-4-phenylmethoxynaphthalen-1-yl)-1,3-dimethyl-6,8-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: (1R,3R)-5-(3-bromanyl-4-phenylmethoxy-naphthalen-1-yl)-1,3-dimethyl-6,8-bis(phenylmethoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C49H44BrNO3
MOLECULAR WEIGHT: 774.78256
SMILES: C[C@@H]1CC2=C(C(=CC(=C2[C@H](N1CC3=CC=CC=C3)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC(=C(C7=CC=CC=C76)OCC8=CC=CC=C8)Br
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Product OPENEYE NAME: [4-[(1R,3R)-2-benzyl-6,8-dibenzyloxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl]-1-benzyloxy-2-naphthyl]boronic acid
CAS Name: [4-[(1R,3R)-1,3-dimethyl-6,8-bis(phenylmethoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-phenylmethoxy-2-naphthalenyl]boronic acid
IUPAC NAME: [4-[(1R,3R)-2-benzyl-1,3-dimethyl-6,8-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinolin-5-yl]-1-phenylmethoxynaphthalen-2-yl]boronic acid
SYSTEMATIC NAME: [4-[(1R,3R)-1,3-dimethyl-6,8-bis(phenylmethoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-phenylmethoxy-naphthalen-2-yl]boronic acid
MOLECULAR FORMULA: C49H46BNO5
MOLECULAR WEIGHT: 739.70424
SMILES: B(C1=C(C2=CC=CC=C2C(=C1)C3=C4C[C@H](N([C@@H](C4=C(C=C3OCC5=CC=CC=C5)OCC6=CC=CC=C6)C)CC7=CC=CC=C7)C)OCC8=CC=CC=C8)(O)O
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Product OPENEYE NAME: (2R)-1-(3,5-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]propan-2-amine
CAS Name: (2R)-1-(3,5-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-2-propanamine
IUPAC NAME: (2R)-1-(3,5-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]propan-2-amine
SYSTEMATIC NAME: (2R)-1-(3,5-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]propan-2-amine
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: C[C@H](CC1=CC(=CC(=C1)OC)OC)N[C@H](C)C2=CC=CC=C2
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Product OPENEYE NAME: 3-methoxy-4,4-dimethyl-3,5,5-triphenyl-dioxolane
CAS Name: 3-methoxy-4,4-dimethyl-3,5,5-triphenyldioxolane
IUPAC NAME: 3-methoxy-4,4-dimethyl-3,5,5-triphenyldioxolane
SYSTEMATIC NAME: 3-methoxy-4,4-dimethyl-3,5,5-triphenyl-1,2-dioxolane
MOLECULAR FORMULA: C24H24O3
MOLECULAR WEIGHT: 360.44556
SMILES: CC1(C(OOC1(C2=CC=CC=C2)OC)(C3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: (1Z,4E)-1-(3-allyl-5-chloro-2-hydroxy-phenyl)-1-hydroxy-5-(2-methoxyphenyl)penta-1,4-dien-3-one
CAS Name: (1Z,4E)-1-(5-chloro-2-hydroxy-3-prop-2-enylphenyl)-1-hydroxy-5-(2-methoxyphenyl)-3-penta-1,4-dienone
IUPAC NAME: (1Z,4E)-1-(5-chloro-2-hydroxy-3-prop-2-enylphenyl)-1-hydroxy-5-(2-methoxyphenyl)penta-1,4-dien-3-one
SYSTEMATIC NAME: (1Z,4E)-1-(5-chloranyl-2-oxidanyl-3-prop-2-enyl-phenyl)-5-(2-methoxyphenyl)-1-oxidanyl-penta-1,4-dien-3-one
MOLECULAR FORMULA: C21H19ClO4
MOLECULAR WEIGHT: 370.82616
SMILES: COC1=CC=CC=C1/C=C/C(=O)/C=C(/C2=CC(=CC(=C2O)CC=C)Cl)\O
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Product OPENEYE NAME: (5Z)-5-(nitrosomethylene)-2H-1,2,4-triazine
CAS Name: (5Z)-5-(nitrosomethylidene)-2H-1,2,4-triazine
IUPAC NAME: (5Z)-5-(nitrosomethylidene)-2H-1,2,4-triazine
SYSTEMATIC NAME: (5Z)-5-(nitrosomethylidene)-2H-1,2,4-triazine
MOLECULAR FORMULA: C4H4N4O
MOLECULAR WEIGHT: 124.10076
SMILES: C\1=NNC=N/C1=C\N=O
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Product OPENEYE NAME: (5Z)-N,N-dimethyl-5-(nitrosomethylene)-2H-1,2,4-triazin-3-amine
CAS Name: (5Z)-N,N-dimethyl-5-(nitrosomethylidene)-2H-1,2,4-triazin-3-amine
IUPAC NAME: (5Z)-N,N-dimethyl-5-(nitrosomethylidene)-2H-1,2,4-triazin-3-amine
SYSTEMATIC NAME: (5Z)-N,N-dimethyl-5-(nitrosomethylidene)-2H-1,2,4-triazin-3-amine
MOLECULAR FORMULA: C6H9N5O
MOLECULAR WEIGHT: 167.16856
SMILES: CN(C)C1=N/C(=C\N=O)/C=NN1
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Product OPENEYE NAME: (4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-tetrahydrofuran-2-one oxime
CAS Name: (4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-oxolanone oxime
IUPAC NAME: (1R)-1-[(2S,3R,5Z)-3-hydroxy-5-hydroxyiminooxolan-2-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1R)-1-[(2S,3R,5Z)-5-hydroxyimino-3-oxidanyl-oxolan-2-yl]ethane-1,2-diol
MOLECULAR FORMULA: C6H11NO5
MOLECULAR WEIGHT: 177.15524
SMILES: C\1[C@H]([C@H](O/C1=N\O)[C@@H](CO)O)O
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MOLECULAR FORMULA: C52H58N4O12-2
MOLECULAR WEIGHT: 931.03652
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC4=C(C=C3)OCCOCCOCCOCCO4)[O-])C(=NC5=CC=CC=C5N=C(C1=C(C6=CC7=C(C=C6)OCCOCCOCCOCCO7)[O-])C)C)C
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Product OPENEYE NAME: [amino-[(4-hydroxy-3-oxo-1,4-benzoxazin-2-yl)sulfanyl]methylene]ammonium
CAS Name: [amino-[(4-hydroxy-3-oxo-1,4-benzoxazin-2-yl)thio]methylidene]ammonium
IUPAC NAME: [amino-[(4-hydroxy-3-oxo-1,4-benzoxazin-2-yl)sulfanyl]methylidene]azanium
SYSTEMATIC NAME: [azanyl-[(4-oxidanyl-3-oxidanylidene-1,4-benzoxazin-2-yl)sulfanyl]methylidene]azanium
MOLECULAR FORMULA: C9H10N3O3S+
MOLECULAR WEIGHT: 240.259
SMILES: C1=CC=C2C(=C1)N(C(=O)C(O2)SC(=[NH2+])N)O
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Product OPENEYE NAME: [amino-[(4-hydroxy-3-oxo-1,4-benzothiazin-2-yl)sulfanyl]methylene]ammonium
CAS Name: [amino-[(4-hydroxy-3-oxo-1,4-benzothiazin-2-yl)thio]methylidene]ammonium
IUPAC NAME: [amino-[(4-hydroxy-3-oxo-1,4-benzothiazin-2-yl)sulfanyl]methylidene]azanium
SYSTEMATIC NAME: [azanyl-[(4-oxidanyl-3-oxidanylidene-1,4-benzothiazin-2-yl)sulfanyl]methylidene]azanium
MOLECULAR FORMULA: C9H10N3O2S2+
MOLECULAR WEIGHT: 256.3246
SMILES: C1=CC=C2C(=C1)N(C(=O)C(S2)SC(=[NH2+])N)O
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Product OPENEYE NAME: [amino-[(3-oxo-4H-1,4-benzoxazin-2-yl)sulfanyl]methylene]ammonium
CAS Name: [amino-[(3-oxo-4H-1,4-benzoxazin-2-yl)thio]methylidene]ammonium
IUPAC NAME: [amino-[(3-oxo-4H-1,4-benzoxazin-2-yl)sulfanyl]methylidene]azanium
SYSTEMATIC NAME: [azanyl-[(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)sulfanyl]methylidene]azanium
MOLECULAR FORMULA: C9H10N3O2S+
MOLECULAR WEIGHT: 224.2596
SMILES: C1=CC=C2C(=C1)NC(=O)C(O2)SC(=[NH2+])N
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