[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O5S/c1-15(23(27)25-20-10-6-5-9-19(20)16-7-3-2-4-8-16)31-24(28)22-14-17-13-18(26(29)30)11-12-21(17)32-22/h2-15H,1H3,(H,25,27)