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

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(2-methyl-5-nitro-phenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(2-methyl-5-nitro-anilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-(2-methyl-5-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(2-methyl-5-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-(2-methyl-5-nitro-anilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O5S/c1-3-27-19(24)17-14(12-5-6-12)10-28-18(17)21-16(23)9-20-15-8-13(22(25)26)7-4-11(15)2/h4,7-8,10,12,20H,3,5-6,9H2,1-2H3,(H,21,23)