ethyl 3-methyl-5-[2-(4-nitroimidazol-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-nitroimidazol-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N4O5S/c1-3-22-13(19)12-8(2)4-11(23-12)15-10(18)6-16-5-9(14-7-16)17(20)21/h4-5,7H,3,6H2,1-2H3,(H,15,18)