(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCC1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-29-13-12-17(22-20(25)16-10-6-3-7-11-16)21(26)27-14-18-23-19(24-28-18)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,22,25)