2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-2-phenyl-acetic acid Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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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)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N)C4=CC=CS4

InChI

InChI=1S/C22H18N2O2S2/c23-13-16-19(18-11-6-12-27-18)15-9-4-5-10-17(15)24-21(16)28-20(22(25)26)14-7-2-1-3-8-14/h1-3,6-8,11-12,20H,4-5,9-10H2,(H,25,26)