(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-15-7-6-10-17(13-15)20(26)23-18(11-12-30-2)22(27)28-14-19-24-25-21(29-19)16-8-4-3-5-9-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,23,26)