S-[2-[6-[(1-methylbenzimidazol-5-yl)sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-[(1-methylbenzimidazol-5-yl)sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-[(1-methylbenzimidazol-5-yl)sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[(1-methyl-5-benzimidazolyl)sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[(1-methylbenzimidazol-5-yl)sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-[(1-methylbenzimidazol-5-yl)sulfonylamino]-3-pyridyl]ethyl] ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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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=N3)C

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C=N3)C

InChI

InChI=1S/C17H16N4O4S2/c1-11(22)26-9-16(23)12-3-6-17(18-8-12)20-27(24,25)13-4-5-15-14(7-13)19-10-21(15)2/h3-8,10H,9H2,1-2H3,(H,18,20)