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

Systemtic Name: [7-(2-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] pentanoate Openeye Name: [7-(2-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] pentanoate CAS Name: pentanoic acid [7-(2-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(2-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] pentanoate Traditional Name: valeric acid [7-(2-chlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C18H15ClO4S MolecularWeight: 362.8273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC2=C(C(=C1)C3=CC=CC=C3Cl)OC(=O)S2

Isomeric SMILES

CCCCC(=O)OC1=CC2=C(C(=C1)C3=CC=CC=C3Cl)OC(=O)S2

InChI

InChI=1S/C18H15ClO4S/c1-2-3-8-16(20)22-11-9-13(12-6-4-5-7-14(12)19)17-15(10-11)24-18(21)23-17/h4-7,9-10H,2-3,8H2,1H3