2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-methylpropanoic acid IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-methyl-propionic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NC2=C(CCCC2)C=C1C#N

Isomeric SMILES

CC(C)(C(=O)O)SC1=NC2=C(CCCC2)C=C1C#N

InChI

InChI=1S/C14H16N2O2S/c1-14(2,13(17)18)19-12-10(8-15)7-9-5-3-4-6-11(9)16-12/h7H,3-6H2,1-2H3,(H,17,18)