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

Systemtic Name: S-[2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(2,3-dihydrobenzofuran-5-ylsulfonylamino)phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(2,3-dihydrobenzofuran-5-ylsulfonylamino)phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(coumaran-5-ylsulfonylamino)phenyl]-2-keto-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(C=C2)OCC3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3

InChI

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