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

Systemtic Name: 4-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]benzoic acid Formula: C19H18N2O2S MolecularWeight: 338.42342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C19H18N2O2S/c1-12-2-7-17-15(8-12)9-16(10-20)18(21-17)24-11-13-3-5-14(6-4-13)19(22)23/h3-6,9,12H,2,7-8,11H2,1H3,(H,22,23)