[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C=C1

InChI

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