prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)N)C#N

InChI

InChI=1S/C20H21N3O3S/c1-4-9-26-20(25)17-13(3)23-19(27-11-16(22)24)15(10-21)18(17)14-7-5-12(2)6-8-14/h4-8,18,23H,1,9,11H2,2-3H3,(H2,22,24)/t18-/m1/s1