methyl 4-(2-chlorophenyl)-2-[2-(4-nitroimidazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-2-[2-(4-nitroimidazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O5S/c1-27-17(24)15-11(10-4-2-3-5-12(10)18)8-28-16(15)20-14(23)7-21-6-13(19-9-21)22(25)26/h2-6,8-9H,7H2,1H3,(H,20,23)