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

Systemtic Name: 2-methoxyethyl (4R)-4-(2-chlorophenyl)-3-cyano-6-methyl-2-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-3,4-dihydropyridine-5-carboxylate Openeye Name: 2-methoxyethyl (4R)-4-(2-chlorophenyl)-3-cyano-6-methyl-2-(2-oxo-2-propoxy-ethyl)sulfanyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4R)-4-(2-chlorophenyl)-3-cyano-6-methyl-2-[(2-oxo-2-propoxyethyl)thio]-3,4-dihydropyridine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R)-4-(2-chlorophenyl)-3-cyano-6-methyl-2-(2-oxo-2-propoxyethyl)sulfanyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4R)-4-(2-chlorophenyl)-3-cyano-2-[(2-keto-2-propoxy-ethyl)thio]-6-methyl-3,4-dihydropyridine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CC=C2Cl)C(=O)OCCOC)C

Isomeric SMILES

CCCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2Cl)C(=O)OCCOC)C

InChI

InChI=1S/C22H25ClN2O5S/c1-4-9-29-18(26)13-31-21-16(12-24)20(15-7-5-6-8-17(15)23)19(14(2)25-21)22(27)30-11-10-28-3/h5-8,16,20H,4,9-11,13H2,1-3H3/t16?,20-/m1/s1