[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c23-18(21-12-13-26-15-6-2-1-3-7-15)14-25-20(24)11-10-19-22-16-8-4-5-9-17(16)27-19/h1-9H,10-14H2,(H,21,23)