methyl 2-[2-[(2-methoxy-5-nitro-phenyl)amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(2-methoxy-5-nitro-phenyl)amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-methoxy-5-nitro-anilino)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-methoxy-5-nitroanilino)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methoxy-5-nitroanilino)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-methoxy-5-nitro-anilino)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C17H19N3O6S/c1-9-10(2)27-16(15(9)17(22)26-4)19-14(21)8-18-12-7-11(20(23)24)5-6-13(12)25-3/h5-7,18H,8H2,1-4H3,(H,19,21)