[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 1-hydroxynaphthalene-2-carboxylate CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate Traditional Name: 1-hydroxynaphthalene-2-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C22H21NO4S/c1-15-6-9-17(10-7-15)28-13-12-23-20(24)14-27-22(26)19-11-8-16-4-2-3-5-18(16)21(19)25/h2-11,25H,12-14H2,1H3,(H,23,24)