4-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[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=C(C=C2)C(=O)O

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-2-13-5-3-4-10-17(13)15(18)11-21-14-8-6-12(7-9-14)16(19)20/h6-9,13H,2-5,10-11H2,1H3,(H,19,20)