(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H14N2O7S2 MolecularWeight: 422.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S2/c1-10-12(18-16(26-10)14-4-3-7-27-14)9-25-17(20)11-5-6-15(28(2,23)24)13(8-11)19(21)22/h3-8H,9H2,1-2H3