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

Systemtic Name: prop-2-enyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-4-(4-methoxycarbonylphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-carbomethoxyphenyl)-5-cyano-6-mercapto-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-4-9-25-19(23)15-11(2)21-17(26)14(10-20)16(15)12-5-7-13(8-6-12)18(22)24-3/h4-8,15-16,26H,1,9H2,2-3H3/t15?,16-/m0/s1