[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C19H14N2O5S2 MolecularWeight: 414.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O5S2/c22-17(12-26-19(23)16-10-11-18(28-16)21(24)25)20-14-8-4-5-9-15(14)27-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)