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

Systemtic Name: (1-butylsulfinyl-3-propan-2-yloxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-isopropoxy-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-propan-2-yloxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-propan-2-yloxypropan-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-(butylsulfinylmethyl)-2-isopropoxy-ethyl] ester Formula: C22H32N2O4S2 MolecularWeight: 452.63048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC(C)C)OC(=O)CSC1=NC2=C(CCCC2)C=C1C#N

Isomeric SMILES

CCCCS(=O)CC(COC(C)C)OC(=O)CSC1=NC2=C(CCCC2)C=C1C#N

InChI

InChI=1S/C22H32N2O4S2/c1-4-5-10-30(26)15-19(13-27-16(2)3)28-21(25)14-29-22-18(12-23)11-17-8-6-7-9-20(17)24-22/h11,16,19H,4-10,13-15H2,1-3H3