(1-butylsulfinyl-3-phenylmethoxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate

Systemtic Name: (1-butylsulfinyl-3-phenylmethoxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfinyl-ethyl] 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid (1-butylsulfinyl-3-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-phenylmethoxypropan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid [1-(benzoxymethyl)-2-butylsulfinyl-ethyl] ester Formula: C26H32N2O4S2 MolecularWeight: 500.67328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCCCS(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C26H32N2O4S2/c1-2-3-13-34(30)19-23(17-31-16-20-9-5-4-6-10-20)32-25(29)18-33-26-22(15-27)14-21-11-7-8-12-24(21)28-26/h4-6,9-10,14,23H,2-3,7-8,11-13,16-19H2,1H3