[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H18N2O3S3 MolecularWeight: 418.55282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S3/c22-17(20-10-11-25-14-6-2-1-3-7-14)12-24-18(23)13-26-19-21-15-8-4-5-9-16(15)27-19/h1-9H,10-13H2,(H,20,22)