[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(S2)C4=C(CC3)C=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(S2)C4=C(CC3)C=C(C=C4)OC

InChI

InChI=1S/C23H20N2O6S/c1-13-18(4-3-5-19(13)25(28)29)24-21(26)12-31-23(27)20-11-15-7-6-14-10-16(30-2)8-9-17(14)22(15)32-20/h3-5,8-11H,6-7,12H2,1-2H3,(H,24,26)