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

Systemtic Name: [7-(4-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-methylbenzoate Openeye Name: [2-oxo-7-(p-tolyl)-1,3-benzoxathiol-5-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-keto-7-(p-tolyl)-1,3-benzoxathiol-5-yl] ester Formula: C22H16O4S MolecularWeight: 376.42504

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=C4C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C22H16O4S/c1-13-7-9-15(10-8-13)18-11-16(12-19-20(18)26-22(24)27-19)25-21(23)17-6-4-3-5-14(17)2/h3-12H,1-2H3