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

Systemtic Name: ethyl 3-[2-(4-nitroimidazol-1-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-nitroimidazol-1-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-nitroimidazol-1-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(4-nitroimidazol-1-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-2-27-18(24)17-13(8-14(28-17)12-6-4-3-5-7-12)20-16(23)10-21-9-15(19-11-21)22(25)26/h3-9,11H,2,10H2,1H3,(H,20,23)