[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 2,3-dihydro-1-benzothiophene-2-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 2,3-dihydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O5S/c1-11(17(21)19-13-6-4-7-14(10-13)20(23)24)25-18(22)16-9-12-5-2-3-8-15(12)26-16/h2-8,10-11,16H,9H2,1H3,(H,19,21)