[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c1-11(23)20-13-3-2-4-14(9-13)21-18(24)10-28-19(25)17-8-12-7-15(22(26)27)5-6-16(12)29-17/h2-9H,10H2,1H3,(H,20,23)(H,21,24)