[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-2-12(15(19)17-10-11-6-4-3-5-7-11)23-16(20)13-8-9-14(24-13)18(21)22/h3-9,12H,2,10H2,1H3,(H,17,19)/t12-/m1/s1