(1-butylsulfonyl-3-prop-2-enoxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate

Systemtic Name: (1-butylsulfonyl-3-prop-2-enoxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfonyl-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-butylsulfonyl-3-prop-2-enoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-prop-2-enoxypropan-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-(allyloxymethyl)-2-butylsulfonyl-ethyl] ester Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S2/c1-3-5-11-31(26,27)16-19(14-28-10-4-2)29-21(25)15-30-22-18(13-23)12-17-8-6-7-9-20(17)24-22/h4,12,19H,2-3,5-11,14-16H2,1H3