[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-13-7-9-15(10-8-13)16-11-12-29-19(16)21(25)28-14(2)20(24)22-17-5-3-4-6-18(17)23(26)27/h3-12,14H,1-2H3,(H,22,24)/t14-/m1/s1