4-[2-[(3-methyl-1,2-thiazol-5-yl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[2-[(3-methyl-1,2-thiazol-5-yl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-[(3-methylisothiazol-5-yl)amino]-2-oxo-ethyl]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[2-[(3-methyl-5-isothiazolyl)amino]-2-oxoethyl]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-[(3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[2-keto-2-[(3-methylisothiazol-5-yl)amino]ethyl]-4-phenyl-piperidine-1-carboxylic acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1)NC(=O)CC2(CCN(CC2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NSC(=C1)NC(=O)CC2(CCN(CC2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-13-11-16(25-20-13)19-15(22)12-18(14-5-3-2-4-6-14)7-9-21(10-8-18)17(23)24/h2-6,11H,7-10,12H2,1H3,(H,19,22)(H,23,24)