[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S2/c24-19(22-13-14-27-16-7-2-1-3-8-16)15-26-21(25)12-6-11-20-23-17-9-4-5-10-18(17)28-20/h1-5,7-10H,6,11-15H2,(H,22,24)