Product OPENEYE NAME: 2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]amino]acetate
CAS Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]amino]acetate
IUPAC NAME: 2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C18H24N4O12-6
MOLECULAR WEIGHT: 488.40276
SMILES: C(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
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Product OPENEYE NAME: 2-(4-methoxyphenyl)vinylboronic acid
CAS Name: 2-(4-methoxyphenyl)ethenylboronic acid
IUPAC NAME: 2-(4-methoxyphenyl)ethenylboronic acid
SYSTEMATIC NAME: 2-(4-methoxyphenyl)ethenylboronic acid
MOLECULAR FORMULA: C9H11BO3
MOLECULAR WEIGHT: 177.99284
SMILES: B(C=CC1=CC=C(C=C1)OC)(O)O
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Product OPENEYE NAME: 2-[2,3-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
CAS Name: 2-[[2,3-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-oxanyl]oxy]-6-methyloxane-3,4,5-triol
IUPAC NAME: 2-[2,3-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-[2-(hydroxymethyl)-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C18H32O15
MOLECULAR WEIGHT: 488.43768
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O
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Product OPENEYE NAME: (3-bromo-2-isopropoxy-5-methyl-phenyl)boronic acid
CAS Name: (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
IUPAC NAME: (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
SYSTEMATIC NAME: (3-bromanyl-5-methyl-2-propan-2-yloxy-phenyl)boronic acid
MOLECULAR FORMULA: C10H14BBrO3
MOLECULAR WEIGHT: 272.93136
SMILES: B(C1=CC(=CC(=C1OC(C)C)Br)C)(O)O
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Product OPENEYE NAME: N-[(5-ethyl-2-thienyl)methyleneamino]-3-methyl-benzamide
CAS Name: N-[(5-ethyl-2-thiophenyl)methylideneamino]-3-methylbenzamide
IUPAC NAME: N-[(5-ethylthiophen-2-yl)methylideneamino]-3-methylbenzamide
SYSTEMATIC NAME: N-[(5-ethylthiophen-2-yl)methylideneamino]-3-methyl-benzamide
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: CCC1=CC=C(S1)C=NNC(=O)C2=CC(=CC=C2)C
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Product OPENEYE NAME: 3-chloro-N-[1-(2-pyridyl)ethylideneamino]benzothiophene-2-carboxamide
CAS Name: 3-chloro-N-[1-(2-pyridinyl)ethylideneamino]-1-benzothiophene-2-carboxamide
IUPAC NAME: 3-chloro-N-(1-pyridin-2-ylethylideneamino)-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-N-(1-pyridin-2-ylethylideneamino)-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C16H12ClN3OS
MOLECULAR WEIGHT: 329.80398
SMILES: CC(=NNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C3=CC=CC=N3
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Product OPENEYE NAME: methyl 2-cyano-3-(2-hydroxy-3-methoxy-phenyl)prop-2-enoate
CAS Name: 2-cyano-3-(2-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester
IUPAC NAME: methyl 2-cyano-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl 2-cyano-3-(3-methoxy-2-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: COC1=CC=CC(=C1O)C=C(C#N)C(=O)OC
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Product OPENEYE NAME: N-[2-morpholino-2-(2-thienyl)ethyl]-4-oxo-2,6-diphenyl-1,4$l^{5}-oxaphosphinin-4-amine
CAS Name: N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-4-oxo-2,6-diphenyl-1,4$l^{5}-oxaphosphorin-4-amine
IUPAC NAME: N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-oxo-2,6-diphenyl-1,4$l^{5}-oxaphosphinin-4-amine
SYSTEMATIC NAME: N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-4-oxidanylidene-2,6-diphenyl-1,4$l^{5}-oxaphosphinin-4-amine
MOLECULAR FORMULA: C26H27N2O3PS
MOLECULAR WEIGHT: 478.542941
SMILES: C1COCCN1C(CNP2(=O)C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5
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Product OPENEYE NAME: N4-[(3,5-dimethyl-1-pentyl-pyrazol-4-yl)methyleneamino]-5-nitro-pyrimidine-2,4-diamine
CAS Name: N4-[(3,5-dimethyl-1-pentyl-4-pyrazolyl)methylideneamino]-5-nitropyrimidine-2,4-diamine
IUPAC NAME: 4-N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-5-nitropyrimidine-2,4-diamine
SYSTEMATIC NAME: N4-[(3,5-dimethyl-1-pentyl-pyrazol-4-yl)methylideneamino]-5-nitro-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C15H22N8O2
MOLECULAR WEIGHT: 346.38758
SMILES: CCCCCN1C(=C(C(=N1)C)C=NNC2=NC(=NC=C2[N+](=O)[O-])N)C
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Product OPENEYE NAME: N,N'-bis(4,5-diphenylthiazol-2-yl)nonanediamide
CAS Name: N,N'-bis(4,5-diphenyl-2-thiazolyl)nonanediamide
IUPAC NAME: N,N'-bis(4,5-diphenyl-1,3-thiazol-2-yl)nonanediamide
SYSTEMATIC NAME: N,N'-bis(4,5-diphenyl-1,3-thiazol-2-yl)nonanediamide
MOLECULAR FORMULA: C39H36N4O2S2
MOLECULAR WEIGHT: 656.85874
SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCCCCCCC(=O)NC3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: 3-cyano-N-(9-ethylcarbazol-3-yl)-3-phenyl-prop-2-enamide
CAS Name: 3-cyano-N-(9-ethyl-3-carbazolyl)-3-phenyl-2-propenamide
IUPAC NAME: 3-cyano-N-(9-ethylcarbazol-3-yl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: 3-cyano-N-(9-ethylcarbazol-3-yl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C24H19N3O
MOLECULAR WEIGHT: 365.42716
SMILES: CCN1C2=C(C=C(C=C2)NC(=O)C=C(C#N)C3=CC=CC=C3)C4=CC=CC=C41
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Product OPENEYE NAME: 3-(5-bromo-2-furyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CAS Name: 3-(5-bromo-2-furanyl)-N-(3,4-dichlorophenyl)-2-propenamide
IUPAC NAME: 3-(5-bromofuran-2-yl)-N-(3,4-dichlorophenyl)prop-2-enamide
SYSTEMATIC NAME: 3-(5-bromanylfuran-2-yl)-N-(3,4-dichlorophenyl)prop-2-enamide
MOLECULAR FORMULA: C13H8BrCl2NO2
MOLECULAR WEIGHT: 361.01812
SMILES: C1=CC(=C(C=C1NC(=O)C=CC2=CC=C(O2)Br)Cl)Cl
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Product OPENEYE NAME: N-[(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]-3-morpholinosulfonyl-benzamide
CAS Name: N-[[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylideneamino]-3-(4-morpholinylsulfonyl)benzamide
IUPAC NAME: N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C25H27N5O5S2
MOLECULAR WEIGHT: 541.64238
SMILES: C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5
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Product OPENEYE NAME: 2-ethyl-N-[5-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CAS Name: N-[5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
IUPAC NAME: N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
SYSTEMATIC NAME: N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide
MOLECULAR FORMULA: C18H22N4O2S2
MOLECULAR WEIGHT: 390.52288
SMILES: CCC(CC)C(=O)NC1=NN=C(S1)SCC(=O)N2CCC3=CC=CC=C32
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C25H22F3N7OS
MOLECULAR WEIGHT: 525.54869
SMILES: CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=CC=C5C(F)(F)F
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Product OPENEYE NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CAS Name: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
IUPAC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SYSTEMATIC NAME: 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)ethanamide
MOLECULAR FORMULA: C22H23N9OS
MOLECULAR WEIGHT: 461.54272
SMILES: CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C
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