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

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(4-nitroimidazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-4-29-20(26)18-17(14-7-5-12(2)6-8-14)13(3)30-19(18)22-16(25)10-23-9-15(21-11-23)24(27)28/h5-9,11H,4,10H2,1-3H3,(H,22,25)