[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO4S/c1-3-4-14-26-19-9-7-18(8-10-19)22(25)27-16-21(24)23-13-15-28-20-11-5-17(2)6-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,23,24)