prop-2-enyl (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-6-[(2-amino-2-oxoethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[(2-amino-2-keto-ethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=CC=C2Cl)C#N)SCC(=O)N

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=CC=C2Cl)C#N)SCC(=O)N

InChI

InChI=1S/C19H18ClN3O3S/c1-3-8-26-19(25)16-11(2)23-18(27-10-15(22)24)13(9-21)17(16)12-6-4-5-7-14(12)20/h3-7,16-17H,1,8,10H2,2H3,(H2,22,24)/t16?,17-/m0/s1