diethyl 1-[[3-(imidazol-1-ylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-[[3-(imidazol-1-ylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-[[3-(imidazol-1-ylamino)-3-oxo-propyl]sulfanylmethyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[[[3-(1-imidazolylamino)-3-oxopropyl]thio]methyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[[3-(imidazol-1-ylamino)-3-oxopropyl]sulfanylmethyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[[[3-(imidazol-1-ylamino)-3-keto-propyl]thio]methyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H29N5O7S MolecularWeight: 543.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)CSCCC(=O)NN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)CSCCC(=O)NN3C=CN=C3

InChI

InChI=1S/C25H29N5O7S/c1-4-36-24(32)20-14-28(16-38-12-9-21(31)27-29-11-10-26-15-29)17(3)22(25(33)37-5-2)23(20)18-7-6-8-19(13-18)30(34)35/h6-8,10-11,13-15,23H,4-5,9,12,16H2,1-3H3,(H,27,31)