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

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid (3-phenylisoxazol-5-yl)methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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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)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC1=CC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-32-11-10-19(23-21(26)16-8-5-9-17(12-16)25(28)29)22(27)30-14-18-13-20(24-31-18)15-6-3-2-4-7-15/h2-9,12-13,19H,10-11,14H2,1H3,(H,23,26)