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

Systemtic Name: S-[2-[6-[[4-(3-methyl-3-oxidanyl-butoxy)phenyl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-[[4-(3-hydroxy-3-methyl-butoxy)phenyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[[4-(3-hydroxy-3-methylbutoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[[4-(3-hydroxy-3-methylbutoxy)phenyl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-[[4-(3-hydroxy-3-methyl-butoxy)phenyl]sulfonylamino]-3-pyridyl]-2-keto-ethyl] ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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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)OCCC(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S2/c1-14(23)29-13-18(24)15-4-9-19(21-12-15)22-30(26,27)17-7-5-16(6-8-17)28-11-10-20(2,3)25/h4-9,12,25H,10-11,13H2,1-3H3,(H,21,22)