S-[2-oxidanylidene-2-[6-[[4-(3-oxidanylpropoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[6-[[4-(3-oxidanylpropoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Openeye Name: S-[2-[6-[[4-(3-hydroxypropoxy)phenyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[[4-(3-hydroxypropoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[[4-(3-hydroxypropoxy)phenyl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-[[4-(3-hydroxypropoxy)phenyl]sulfonylamino]-3-pyridyl]-2-keto-ethyl] ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCCCO

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCCCO

InChI

InChI=1S/C18H20N2O6S2/c1-13(22)27-12-17(23)14-3-8-18(19-11-14)20-28(24,25)16-6-4-15(5-7-16)26-10-2-9-21/h3-8,11,21H,2,9-10,12H2,1H3,(H,19,20)