[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H20N2O4S2/c23-18(21-10-11-27-13-15-6-2-1-3-7-15)12-25-19(24)14-28-20-22-16-8-4-5-9-17(16)26-20/h1-9H,10-14H2,(H,21,23)