(phenylmethyl) 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 6-(2-amino-2-oxo-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O3S/c1-14-20(23(29)30-12-15-7-3-2-4-8-15)21(16-9-5-6-10-18(16)24)17(11-25)22(27-14)31-13-19(26)28/h2-10,21,27H,12-13H2,1H3,(H2,26,28)