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

Systemtic Name: [7-(2-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-phenylethanoate Openeye Name: [7-(2-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [7-(2-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(2-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [7-(2-chlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C21H13ClO4S MolecularWeight: 396.84352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OC2=CC3=C(C(=C2)C4=CC=CC=C4Cl)OC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OC2=CC3=C(C(=C2)C4=CC=CC=C4Cl)OC(=O)S3

InChI

InChI=1S/C21H13ClO4S/c22-17-9-5-4-8-15(17)16-11-14(12-18-20(16)26-21(24)27-18)25-19(23)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2