diethyl 2-methyl-4-(2-nitrophenyl)-6-(phenylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(2-nitrophenyl)-6-(phenylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(2-nitrophenyl)-6-(phenylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(2-nitrophenyl)-6-[(phenylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(2-nitrophenyl)-6-(phenylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(2-nitrophenyl)-6-[(phenylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)CSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)CSC3=CC=CC=C3)C

InChI

InChI=1S/C25H26N2O6S/c1-4-32-24(28)21-16(3)26-19(15-34-17-11-7-6-8-12-17)23(25(29)33-5-2)22(21)18-13-9-10-14-20(18)27(30)31/h6-14,22,26H,4-5,15H2,1-3H3