[7-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-chloranylbenzoate

Systemtic Name: [7-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-chloranylbenzoate Openeye Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-7-(4-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C21H13ClO5S MolecularWeight: 412.84292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H13ClO5S/c1-25-15-7-5-12(6-8-15)17-10-16(11-18-19(17)27-21(24)28-18)26-20(23)13-3-2-4-14(22)9-13/h2-11H,1H3