[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S/c1-27-15-9-5-8-14(12-15)21-19(23)18(13-6-3-2-4-7-13)28-20(24)16-10-11-17(29-16)22(25)26/h2-12,18H,1H3,(H,21,23)/t18-/m0/s1