1-[2-(4-methoxyphenyl)sulfanylethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(4-methoxyphenyl)sulfanylethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-methoxyphenyl)sulfanylacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-methoxyphenyl)sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-methoxyphenyl)thio]acetyl]nipecotic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-20-12-4-6-13(7-5-12)21-10-14(17)16-8-2-3-11(9-16)15(18)19/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)