[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c24-19(15-12-22-16-9-5-4-8-14(15)16)20(13-6-2-1-3-7-13)28-21(25)17-10-11-18(29-17)23(26)27/h1-12,20,22H/t20-/m1/s1