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

Systemtic Name: 1-[2-(4-ethoxyphenyl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-ethoxyphenyl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-ethoxyphenyl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(p-phenetylthio)acetyl]isonipecotic acid Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H21NO4S/c1-2-21-13-3-5-14(6-4-13)22-11-15(18)17-9-7-12(8-10-17)16(19)20/h3-6,12H,2,7-11H2,1H3,(H,19,20)