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

Systemtic Name: diethyl 2-[(4-aminophenyl)carbonylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(4-aminobenzoyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[(4-aminophenyl)-oxomethyl]thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-aminobenzoyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(4-aminobenzoyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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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)CSC(=O)C3=CC=C(C=C3)N)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O7S/c1-4-35-24(30)21-15(3)28-20(14-37-26(32)16-9-11-18(27)12-10-16)23(25(31)36-5-2)22(21)17-7-6-8-19(13-17)29(33)34/h6-13,22,28H,4-5,14,27H2,1-3H3