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

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[2-(phenylcarbonylcarbamothioylamino)ethylsulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[2-(benzoylcarbamothioylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[2-[[benzamido(sulfanylidene)methyl]amino]ethylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(benzoylcarbamothioylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[2-(benzoylthiocarbamoylamino)ethylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C29H32N4O7S2 MolecularWeight: 612.71698

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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)CSCCNC(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O7S2/c1-4-39-27(35)23-18(3)31-22(17-42-15-14-30-29(41)32-26(34)19-10-7-6-8-11-19)25(28(36)40-5-2)24(23)20-12-9-13-21(16-20)33(37)38/h6-13,16,24,31H,4-5,14-15,17H2,1-3H3,(H2,30,32,34,41)