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

Systemtic Name: S-[2-oxidanylidene-2-[6-(quinolin-6-ylsulfonylamino)pyridin-3-yl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[6-(6-quinolylsulfonylamino)-3-pyridyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[6-(6-quinolinylsulfonylamino)-3-pyridinyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[6-(quinolin-6-ylsulfonylamino)pyridin-3-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-(6-quinolylsulfonylamino)-3-pyridyl]ethyl] ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S2/c1-12(22)26-11-17(23)14-4-7-18(20-10-14)21-27(24,25)15-5-6-16-13(9-15)3-2-8-19-16/h2-10H,11H2,1H3,(H,20,21)