[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C18H20N2O5S/c1-4-7-13-10-16(26-12(13)3)18(22)25-11(2)17(21)19-14-8-5-6-9-15(14)20(23)24/h5-6,8-11H,4,7H2,1-3H3,(H,19,21)