prop-2-enyl (4S)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-4-(4-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-4-(4-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=C(C=C2)OC)C#N)S

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=C(C=C2)OC)C#N)S

InChI

InChI=1S/C18H18N2O3S/c1-4-9-23-18(21)15-11(2)20-17(24)14(10-19)16(15)12-5-7-13(22-3)8-6-12/h4-8,15-16,24H,1,9H2,2-3H3/t15?,16-/m0/s1