[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylthiophene-2-carboxylate

Systemtic Name: [(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylthiophene-2-carboxylate Openeye Name: [(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-13-8-10-16(17(12-13)23(26)27)22-20(24)19(15-6-4-3-5-7-15)28-21(25)18-11-9-14(2)29-18/h3-12,19H,1-2H3,(H,22,24)/t19-/m0/s1