3-[1-(phenylcarbonyl)-4-thiophen-2-ylsulfanyl-piperidin-4-yl]propanoic acid

Systemtic Name: 3-[1-(phenylcarbonyl)-4-thiophen-2-ylsulfanyl-piperidin-4-yl]propanoic acid Openeye Name: 3-[1-benzoyl-4-(2-thienylsulfanyl)-4-piperidyl]propanoic acid CAS Name: 3-[1-benzoyl-4-(thiophen-2-ylthio)-4-piperidinyl]propanoic acid IUPAC Name: 3-(1-benzoyl-4-thiophen-2-ylsulfanylpiperidin-4-yl)propanoic acid Traditional Name: 3-[1-benzoyl-4-(2-thienylthio)-4-piperidyl]propionic acid Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S2/c21-16(22)8-9-19(25-17-7-4-14-24-17)10-12-20(13-11-19)18(23)15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,21,22)