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

Systemtic Name: (phenylmethyl) (4R)-4-(2-chlorophenyl)-3-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: benzyl (4R)-4-(2-chlorophenyl)-3-cyano-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4R)-4-(2-chlorophenyl)-3-cyano-2-[(2-ethoxy-2-oxoethyl)thio]-6-methyl-3,4-dihydropyridine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-(2-chlorophenyl)-3-cyano-2-(2-ethoxy-2-oxoethyl)sulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4R)-4-(2-chlorophenyl)-3-cyano-2-[(2-ethoxy-2-keto-ethyl)thio]-6-methyl-3,4-dihydropyridine-5-carboxylic acid benzyl ester Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C25H23ClN2O4S/c1-3-31-21(29)15-33-24-19(13-27)23(18-11-7-8-12-20(18)26)22(16(2)28-24)25(30)32-14-17-9-5-4-6-10-17/h4-12,19,23H,3,14-15H2,1-2H3/t19?,23-/m1/s1