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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(2-methyl-3-nitro-phenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(2-methyl-3-nitro-anilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(2-methyl-3-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(2-methyl-3-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(2-methyl-3-nitro-anilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5S/c1-5-26-18(23)16-10(2)12(4)27-17(16)20-15(22)9-19-13-7-6-8-14(11(13)3)21(24)25/h6-8,19H,5,9H2,1-4H3,(H,20,22)