[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC(C)C2=CC=CS2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N[C@H](C)C2=CC=CS2

InChI

InChI=1S/C16H16N2O5S/c1-10-12(5-3-6-13(10)18(21)22)16(20)23-9-15(19)17-11(2)14-7-4-8-24-14/h3-8,11H,9H2,1-2H3,(H,17,19)/t11-/m1/s1