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

Systemtic Name: S-[2-oxidanylidene-2-[6-[[4-(pyridin-2-ylmethoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[6-[[4-(2-pyridylmethoxy)phenyl]sulfonylamino]-3-pyridyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[6-[[4-(2-pyridinylmethoxy)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[6-[[4-(pyridin-2-ylmethoxy)phenyl]sulfonylamino]pyridin-3-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-[[4-(2-pyridylmethoxy)phenyl]sulfonylamino]-3-pyridyl]ethyl] ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=N3

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=N3

InChI

InChI=1S/C21H19N3O5S2/c1-15(25)30-14-20(26)16-5-10-21(23-12-16)24-31(27,28)19-8-6-18(7-9-19)29-13-17-4-2-3-11-22-17/h2-12H,13-14H2,1H3,(H,23,24)