S-[2-[6-[[2-(dimethylamino)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-[[2-(dimethylamino)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-[[2-(dimethylamino)-6-quinolyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[[2-(dimethylamino)-6-quinolinyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[[2-(dimethylamino)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-[[2-(dimethylamino)-6-quinolyl]sulfonylamino]-3-pyridyl]-2-keto-ethyl] ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N(C)C

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N(C)C

InChI

InChI=1S/C20H20N4O4S2/c1-13(25)29-12-18(26)15-4-8-19(21-11-15)23-30(27,28)16-6-7-17-14(10-16)5-9-20(22-17)24(2)3/h4-11H,12H2,1-3H3,(H,21,23)