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

Systemtic Name: (1-butylsulfonyl-3-methoxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-methoxy-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-methoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-methoxypropan-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-(butylsulfonylmethyl)-2-methoxy-ethyl] ester Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S2/c1-3-4-9-29(24,25)14-17(12-26-2)27-19(23)13-28-20-16(11-21)10-15-7-5-6-8-18(15)22-20/h10,17H,3-9,12-14H2,1-2H3