[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(2-methylpropoxy)benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-17(2)14-26-20-10-8-19(9-11-20)22(25)27-15-21(24)23-12-13-28-16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,23,24)