(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-methylsulfonylbenzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H13NO5S2 MolecularWeight: 363.40812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C16H13NO5S2/c1-24(19,20)13-6-4-11(5-7-13)16(18)21-10-12-9-14(22-17-12)15-3-2-8-23-15/h2-9H,10H2,1H3