diethyl 2-methyl-4-(3-nitrophenyl)-6-[(phenylmethylsulfanyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(phenylmethylsulfanyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(benzylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[(phenylmethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(benzylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(benzylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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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)CSCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C26H28N2O6S/c1-4-33-25(29)22-17(3)27-21(16-35-15-18-10-7-6-8-11-18)24(26(30)34-5-2)23(22)19-12-9-13-20(14-19)28(31)32/h6-14,23,27H,4-5,15-16H2,1-3H3