methyl 2-[2-[[3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-[anilino(oxo)methyl]-3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-1,4-dihydropyridin-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C31H28N4O6S MolecularWeight: 584.64222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C31H28N4O6S/c1-18-27(29(38)34-20-9-5-4-6-10-20)28(19-13-14-24(36)25(15-19)40-2)22(16-32)30(33-18)42-17-26(37)35-23-12-8-7-11-21(23)31(39)41-3/h4-15,28,33,36H,17H2,1-3H3,(H,34,38)(H,35,37)