(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7S2/c1-13-16(22-20(30-13)14-6-4-3-5-7-14)12-29-19(24)11-21-32(27,28)15-8-9-18(31-2)17(10-15)23(25)26/h3-10,21H,11-12H2,1-2H3