[7-(4-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] benzoate

Systemtic Name: [7-(4-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] benzoate Openeye Name: [2-oxo-7-(p-tolyl)-1,3-benzoxathiol-5-yl] benzoate CAS Name: benzoic acid [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate Traditional Name: benzoic acid [2-keto-7-(p-tolyl)-1,3-benzoxathiol-5-yl] ester Formula: C21H14O4S MolecularWeight: 362.39846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4

InChI

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