4-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(3-methylpiperidino)ethyl]thio]benzoic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-11-3-2-8-16(9-11)14(17)10-20-13-6-4-12(5-7-13)15(18)19/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)