[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c19-15(17-11-6-7-11)14(10-4-2-1-3-5-10)23-16(20)12-8-9-13(24-12)18(21)22/h1-5,8-9,11,14H,6-7H2,(H,17,19)/t14-/m1/s1