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

Systemtic Name: (1-butylsulfinyl-3-phenoxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-phenoxy-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-phenoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-phenoxypropan-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-phenoxy-ethyl] ester Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC1=CC=CC=C1)OC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCCCS(=O)CC(COC1=CC=CC=C1)OC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C25H30N2O4S2/c1-2-3-13-33(29)18-22(16-30-21-10-5-4-6-11-21)31-24(28)17-32-25-20(15-26)14-19-9-7-8-12-23(19)27-25/h4-6,10-11,14,22H,2-3,7-9,12-13,16-18H2,1H3