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

Systemtic Name: ethyl 5-ethyl-2-[2-[(2-methyl-3-nitro-phenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(2-methyl-3-nitro-anilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(2-methyl-3-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(2-methyl-3-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-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:

CCC1=CC(=C(S1)NC(=O)CNC2=C(C(=CC=C2)[N+](=O)[O-])C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CNC2=C(C(=CC=C2)[N+](=O)[O-])C)C(=O)OCC

InChI

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