diethyl 2-[5-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[5-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[5-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[5-[[amino-[3-(1H-imidazol-5-yl)propylimino]methyl]amino]pentylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[5-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[5-[[N'-[3-(1H-imidazol-5-yl)propyl]amidino]amino]pentylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C31H43N7O6S MolecularWeight: 641.78142

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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)CSCCCCCNC(=NCCCC3=CN=CN3)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCCCCCNC(=NCCCC3=CN=CN3)N)C

InChI

InChI=1S/C31H43N7O6S/c1-4-43-29(39)26-21(3)37-25(28(30(40)44-5-2)27(26)22-11-9-13-24(17-22)38(41)42)19-45-16-8-6-7-14-34-31(32)35-15-10-12-23-18-33-20-36-23/h9,11,13,17-18,20,27,37H,4-8,10,12,14-16,19H2,1-3H3,(H,33,36)(H3,32,34,35)