methyl 5-cyano-3-methyl-6-[(2-methylphenyl)sulfanylmethyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-2-carboxylate

Systemtic Name: methyl 5-cyano-3-methyl-6-[(2-methylphenyl)sulfanylmethyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-2-carboxylate Openeye Name: methyl 5-cyano-3-methyl-4-(2-nitrophenyl)-6-(o-tolylsulfanylmethyl)-1,4-dihydropyridine-2-carboxylate CAS Name: 5-cyano-3-methyl-6-[[(2-methylphenyl)thio]methyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-3-methyl-6-[(2-methylphenyl)sulfanylmethyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-2-carboxylate Traditional Name: 5-cyano-3-methyl-4-(2-nitrophenyl)-6-[(o-tolylthio)methyl]-1,4-dihydropyridine-2-carboxylic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=C(C(C(=C(N2)C(=O)OC)C)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C(C(=C(N2)C(=O)OC)C)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C23H21N3O4S/c1-14-8-4-7-11-20(14)31-13-18-17(12-24)21(15(2)22(25-18)23(27)30-3)16-9-5-6-10-19(16)26(28)29/h4-11,21,25H,13H2,1-3H3