2-[1-(phenylcarbonyl)-4-thiophen-2-ylsulfanyl-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(phenylcarbonyl)-4-thiophen-2-ylsulfanyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-benzoyl-4-(2-thienylsulfanyl)-4-piperidyl]acetic acid CAS Name: 2-[1-benzoyl-4-(thiophen-2-ylthio)-4-piperidinyl]acetic acid IUPAC Name: 2-(1-benzoyl-4-thiophen-2-ylsulfanylpiperidin-4-yl)acetic acid Traditional Name: 2-[1-benzoyl-4-(2-thienylthio)-4-piperidyl]acetic acid Formula: C18H19NO3S2 MolecularWeight: 361.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)O)SC2=CC=CS2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(CC(=O)O)SC2=CC=CS2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S2/c20-15(21)13-18(24-16-7-4-12-23-16)8-10-19(11-9-18)17(22)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,20,21)