S-[2-[4-[2-hydroxyethyl(pyrimidin-2-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[2-hydroxyethyl(pyrimidin-2-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[2-hydroxyethyl(pyrimidin-2-ylsulfonyl)amino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[2-hydroxyethyl(2-pyrimidinylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[2-hydroxyethyl(pyrimidin-2-ylsulfonyl)amino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[2-hydroxyethyl(2-pyrimidylsulfonyl)amino]phenyl]-2-keto-ethyl] ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)N(CCO)S(=O)(=O)C2=NC=CC=N2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)N(CCO)S(=O)(=O)C2=NC=CC=N2

InChI

InChI=1S/C16H17N3O5S2/c1-12(21)25-11-15(22)13-3-5-14(6-4-13)19(9-10-20)26(23,24)16-17-7-2-8-18-16/h2-8,20H,9-11H2,1H3