[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate CAS Name: 4-(1,3,4-oxadiazol-2-yl)benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate Traditional Name: 4-(1,3,4-oxadiazol-2-yl)benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=C(C=C2)C3=NN=CO3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=C(C=C2)C3=NN=CO3

InChI

InChI=1S/C20H19N3O4S/c24-18(21-11-4-12-28-17-5-2-1-3-6-17)13-26-20(25)16-9-7-15(8-10-16)19-23-22-14-27-19/h1-3,5-10,14H,4,11-13H2,(H,21,24)