1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-keto-2-[2-(methylthio)anilino]ethyl]nipecotic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-21-13-7-3-2-6-12(13)16-14(18)10-17-8-4-5-11(9-17)15(19)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)(H,19,20)