4-[[6-tert-butyl-3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[6-tert-butyl-3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[6-tert-butyl-3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[6-tert-butyl-3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[6-tert-butyl-3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[6-tert-butyl-3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]methyl]benzoic acid Formula: C29H30N2O3S MolecularWeight: 486.6251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C(=O)O)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C(=O)O)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H30N2O3S/c1-29(2,3)21-11-14-25-23(15-21)26(19-9-12-22(34-4)13-10-19)24(16-30)27(31-25)35-17-18-5-7-20(8-6-18)28(32)33/h5-10,12-13,21H,11,14-15,17H2,1-4H3,(H,32,33)