1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2,5-dimethylphenyl)thio]acetyl]isonipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCC(CC2)C(=O)O

InChI

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