(2-oxidanylidene-1,3-benzoxathiol-6-yl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-6-yl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: (2-oxo-1,3-benzoxathiol-6-yl) 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid (2-oxo-1,3-benzoxathiol-6-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-6-yl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid (2-keto-1,3-benzoxathiol-6-yl) ester Formula: C20H15NO5S2 MolecularWeight: 413.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OC3=CC4=C(C=C3)SC(=O)O4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OC3=CC4=C(C=C3)SC(=O)O4

InChI

InChI=1S/C20H15NO5S2/c1-11-15(12(2)26-21-11)10-27-17-6-4-3-5-14(17)19(22)24-13-7-8-18-16(9-13)25-20(23)28-18/h3-9H,10H2,1-2H3