methyl (3R)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3R)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-(2-oxo-2-propoxy-ethyl)sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-[(2-oxo-2-propoxyethyl)thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-(2-oxo-2-propoxyethyl)sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-4-(4-chlorophenyl)-5-cyano-2-keto-6-[(2-keto-2-propoxy-ethyl)thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCCOC(=O)CSC1=C(C([C@H](C(=O)N1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C19H19ClN2O5S/c1-3-8-27-14(23)10-28-18-13(9-21)15(11-4-6-12(20)7-5-11)16(17(24)22-18)19(25)26-2/h4-7,15-16H,3,8,10H2,1-2H3,(H,22,24)/t15?,16-/m1/s1