methyl 5-cyano-6-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-6-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-(3-ethoxy-3-oxo-propyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[(3-ethoxy-3-oxopropyl)thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-(3-ethoxy-3-oxopropyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[(3-ethoxy-3-keto-propyl)thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)CCSC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C#N

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/h5-9,18,22H,4,10-11H2,1-3H3