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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-21-13-6-2-5-12(8-13)16-14(18)10-17-7-3-4-11(9-17)15(19)20/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,16,18)(H,19,20)/t11-/m0/s1