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

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid (3-phenylisoxazol-5-yl)methyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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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=C3Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=CC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-30-12-11-19(24-21(26)17-9-5-6-10-18(17)23)22(27)28-14-16-13-20(25-29-16)15-7-3-2-4-8-15/h2-10,13,19H,11-12,14H2,1H3,(H,24,26)