S-[2-[4-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(1,3-dihydroisobenzofuran-5-ylsulfonylamino)phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(1,3-dihydroisobenzofuran-5-ylsulfonylamino)phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(phthalan-5-ylsulfonylamino)phenyl]ethyl] ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(COC3)C=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(COC3)C=C2

InChI

InChI=1S/C18H17NO5S2/c1-12(20)25-11-18(21)13-2-5-16(6-3-13)19-26(22,23)17-7-4-14-9-24-10-15(14)8-17/h2-8,19H,9-11H2,1H3