[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6S/c1-29-15-8-9-17(18(11-15)24(27)28)23-20(25)12-30-22(26)19-10-14-7-6-13-4-2-3-5-16(13)21(14)31-19/h2-5,8-11H,6-7,12H2,1H3,(H,23,25)