[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CS2

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H21ClN2O4S/c1-11(2)12(3)21-17(23)10-26-19(25)14-7-6-13(20)9-15(14)22-18(24)16-5-4-8-27-16/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,24)/t12-/m0/s1