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

Systemtic Name: (1-butylsulfonyl-3-phenylmethoxy-propan-2-yl) 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: [1-(benzyloxymethyl)-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-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-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-butylsulfonyl-ethyl] ester Formula: C26H32N2O5S2 MolecularWeight: 516.67268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S2/c1-2-3-13-35(30,31)19-23(17-32-16-20-9-5-4-6-10-20)33-25(29)18-34-26-22(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