methyl (4S)-3-cyano-2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-6-methyl-4-phenyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: methyl (4S)-3-cyano-2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-6-methyl-4-phenyl-3,4-dihydropyridine-5-carboxylate Openeye Name: methyl (4S)-3-cyano-2-(3-ethoxy-3-oxo-propyl)sulfanyl-6-methyl-4-phenyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-cyano-2-[(3-ethoxy-3-oxopropyl)thio]-6-methyl-4-phenyl-3,4-dihydropyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-3-cyano-2-(3-ethoxy-3-oxopropyl)sulfanyl-6-methyl-4-phenyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-3-cyano-2-[(3-ethoxy-3-keto-propyl)thio]-6-methyl-4-phenyl-3,4-dihydropyridine-5-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC(=C(C(C1C#N)C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)CCSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C20H22N2O4S/c1-4-26-16(23)10-11-27-19-15(12-21)18(14-8-6-5-7-9-14)17(13(2)22-19)20(24)25-3/h5-9,15,18H,4,10-11H2,1-3H3/t15?,18-/m1/s1