prop-2-enyl 5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-6-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-6-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-[[2-keto-2-(p-anisidino)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC(=C(C=C3)O)OC)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC(=C(C=C3)O)OC)C(=O)OCC=C

InChI

InChI=1S/C27H27N3O6S/c1-5-12-36-27(33)24-16(2)29-26(37-15-23(32)30-18-7-9-19(34-3)10-8-18)20(14-28)25(24)17-6-11-21(31)22(13-17)35-4/h5-11,13,25,29,31H,1,12,15H2,2-4H3,(H,30,32)