[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S2/c1-16-24-21(29-25-16)15-31-19-11-6-5-10-18(19)22(27)28-14-20(26)23-12-7-13-30-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,23,26)