6-(2-cyclohexylethyl)-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid; ethanethioic S-acid

Systemtic Name: 6-(2-cyclohexylethyl)-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid; ethanethioic S-acid Openeye Name: 6-(2-cyclohexylethyl)-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid; ethanethioic S-acid CAS Name: 6-(2-cyclohexylethyl)-1-(3-mercapto-1-oxopropyl)-2-piperidinecarboxylic acid; ethanethioic S-acid IUPAC Name: 6-(2-cyclohexylethyl)-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid; ethanethioic S-acid Traditional Name: 6-(2-cyclohexylethyl)-1-(3-mercaptopropanoyl)pipecolinic acid; thioacetic acid Formula: C19H33NO4S2 MolecularWeight: 403.59962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S.C1CCC(CC1)CCC2CCCC(N2C(=O)CCS)C(=O)O

Isomeric SMILES

CC(=O)S.C1CCC(CC1)CCC2CCCC(N2C(=O)CCS)C(=O)O

InChI

InChI=1S/C17H29NO3S.C2H4OS/c19-16(11-12-22)18-14(7-4-8-15(18)17(20)21)10-9-13-5-2-1-3-6-13;1-2(3)4/h13-15,22H,1-12H2,(H,20,21);1H3,(H,3,4)