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

Systemtic Name: diethyl 2-[[(4-aminophenyl)carbonylamino]methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[[(4-aminobenzoyl)amino]methylsulfanylmethyl]-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)CSCNC(=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)CSCNC(=O)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C27H30N4O7S/c1-4-37-26(33)22-16(3)30-21(14-39-15-29-25(32)17-9-11-19(28)12-10-17)24(27(34)38-5-2)23(22)18-7-6-8-20(13-18)31(35)36/h6-13,23,30H,4-5,14-15,28H2,1-3H3,(H,29,32)