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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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