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

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (3-phenylisoxazol-5-yl)methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-29-13-12-19(23-21(25)17-10-6-3-7-11-17)22(26)27-15-18-14-20(24-28-18)16-8-4-2-5-9-16/h2-11,14,19H,12-13,15H2,1H3,(H,23,25)