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

Systemtic Name: 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[6-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid CAS Name: 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid IUPAC Name: 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[[6-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)O)C#N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)O)C#N)C3=CC=CS3

InChI

InChI=1S/C20H22N2O2S2/c1-20(2,3)12-6-7-15-13(9-12)18(16-5-4-8-25-16)14(10-21)19(22-15)26-11-17(23)24/h4-5,8,12H,6-7,9,11H2,1-3H3,(H,23,24)