ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)CS(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)CS(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5S/c1-3-31-23(27)22-20(14-32(30)18-10-5-4-6-11-18)25-15(2)19(13-24)21(22)16-8-7-9-17(12-16)26(28)29/h4-12,21,25H,3,14H2,1-2H3