ethyl 2-[2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H29N3O6S2 MolecularWeight: 615.71916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C#N

InChI

InChI=1S/C32H29N3O6S2/c1-6-41-32(38)28-18(2)29(19(3)36)43-31(28)35-27(37)17-42-30-23(16-33)22(15-24(34-30)20-10-8-7-9-11-20)21-12-13-25(39-4)26(14-21)40-5/h7-15H,6,17H2,1-5H3,(H,35,37)