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

Systemtic Name: diethyl 2-[[(4-aminophenyl)carbonylamino]-methylsulfanyl-methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[[(4-aminobenzoyl)amino]-methylsulfanyl-methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[(4-aminophenyl)-oxomethyl]amino]-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[(4-aminobenzoyl)amino]-methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(4-aminobenzoyl)amino]-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H30N4O7S MolecularWeight: 554.6147

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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)C(NC(=O)C3=CC=C(C=C3)N)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O7S/c1-5-37-26(33)20-15(3)29-23(25(39-4)30-24(32)16-10-12-18(28)13-11-16)22(27(34)38-6-2)21(20)17-8-7-9-19(14-17)31(35)36/h7-14,21,25,29H,5-6,28H2,1-4H3,(H,30,32)