[7-(4-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-methoxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Cl)OC(=O)S3

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Cl)OC(=O)S3

InChI

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