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

Systemtic Name: S-[2-[4-(1,3-benzodioxol-5-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(1,3-benzodioxol-5-ylsulfonylamino)phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(1,3-benzodioxol-5-ylsulfonylamino)phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(1,3-benzodioxol-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(1,3-benzodioxol-5-ylsulfonylamino)phenyl]-2-keto-ethyl] ester Formula: C17H15NO6S2 MolecularWeight: 393.4341

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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)OCO3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15NO6S2/c1-11(19)25-9-15(20)12-2-4-13(5-3-12)18-26(21,22)14-6-7-16-17(8-14)24-10-23-16/h2-8,18H,9-10H2,1H3