[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H20N2O4S2/c1-14-6-8-15(9-7-14)27-11-10-21-18(23)12-25-19(24)13-28-20-22-16-4-2-3-5-17(16)26-20/h2-9H,10-13H2,1H3,(H,21,23)