[7-(4-fluorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-methylbenzoate

Systemtic Name: [7-(4-fluorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-methylbenzoate Openeye Name: [7-(4-fluorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [7-(4-fluorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-fluorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [7-(4-fluorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C21H13FO4S MolecularWeight: 380.388923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13FO4S/c1-12-3-2-4-14(9-12)20(23)25-16-10-17(13-5-7-15(22)8-6-13)19-18(11-16)27-21(24)26-19/h2-11H,1H3