[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O4S/c1-14-4-2-10-22(12-14)18(23)13-26-20(25)15-6-8-16(9-7-15)21-19(24)17-5-3-11-27-17/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,21,24)/t14-/m0/s1