[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c1-2-12-5-3-4-6-15(12)20-18(22)11-26-19(23)17-10-13-9-14(21(24)25)7-8-16(13)27-17/h3-10H,2,11H2,1H3,(H,20,22)