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

Systemtic Name: [7-(3-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-methoxybenzoate Openeye Name: [7-(3-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [7-(3-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(3-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [7-(3-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(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC(=CC=C4)Cl)OC(=O)S3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC(=CC=C4)Cl)OC(=O)S3

InChI

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