[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S2/c1-10(15(19)17-9-12-4-3-7-25-12)23-16(20)11-5-6-14(24-2)13(8-11)18(21)22/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m1/s1