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

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenyl-acetic acid Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N

InChI

InChI=1S/C18H16N2O2S/c19-11-14-10-13-8-4-5-9-15(13)20-17(14)23-16(18(21)22)12-6-2-1-3-7-12/h1-3,6-7,10,16H,4-5,8-9H2,(H,21,22)