prop-2-enyl 5-cyano-2-methyl-6-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-2-methyl-6-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(4-benzyloxyphenyl)-5-cyano-2-methyl-6-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(3-methylanilino)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-2-methyl-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-5-cyano-6-[[2-keto-2-(m-toluidino)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C33H31N3O4S MolecularWeight: 565.68194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C33H31N3O4S/c1-4-17-39-33(38)30-23(3)35-32(41-21-29(37)36-26-12-8-9-22(2)18-26)28(19-34)31(30)25-13-15-27(16-14-25)40-20-24-10-6-5-7-11-24/h4-16,18,31,35H,1,17,20-21H2,2-3H3,(H,36,37)