(2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 3-methylbenzoate

Systemtic Name: (2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 3-methylbenzoate Openeye Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (2-keto-7-phenyl-1,3-benzoxathiol-5-yl) ester Formula: C21H14O4S MolecularWeight: 362.39846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=CC=C4)OC(=O)S3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=CC=C4)OC(=O)S3

InChI

InChI=1S/C21H14O4S/c1-13-6-5-9-15(10-13)20(22)24-16-11-17(14-7-3-2-4-8-14)19-18(12-16)26-21(23)25-19/h2-12H,1H3