ethyl 2-[2-[(4-nitrophenyl)amino]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-nitrophenyl)amino]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(4-nitroanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(4-nitroanilino)-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-nitroanilino)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-(4-nitroanilino)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(=C1)C(C)C)NC(=O)CNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-4-26-18(23)14-9-15(11(2)3)27-17(14)20-16(22)10-19-12-5-7-13(8-6-12)21(24)25/h5-9,11,19H,4,10H2,1-3H3,(H,20,22)