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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-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] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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