[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-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)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21ClN2O4S/c1-13-5-2-3-9-23(13)18(24)12-27-20(26)15-8-7-14(21)11-16(15)22-19(25)17-6-4-10-28-17/h4,6-8,10-11,13H,2-3,5,9,12H2,1H3,(H,22,25)/t13-/m0/s1