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

Systemtic Name: [7-(3-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-methylbenzoate Openeye Name: [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-7-(3-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C22H16O5S MolecularWeight: 392.42444

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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)OC(=O)S3

Isomeric SMILES

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

InChI

InChI=1S/C22H16O5S/c1-13-5-3-7-15(9-13)21(23)26-17-11-18(14-6-4-8-16(10-14)25-2)20-19(12-17)28-22(24)27-20/h3-12H,1-2H3