2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-2-12-7-5-6-10-17(12)15(18)11-21-14-9-4-3-8-13(14)16(19)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,19,20)