[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-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-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-11-3-5-13-8-17(27-16(13)7-11)19(23)26-10-18(22)20-14-6-4-12(2)15(9-14)21(24)25/h3-7,9,17H,8,10H2,1-2H3,(H,20,22)