S-[2-[4-[2-hydroxyethyl(pyrimidin-5-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[2-hydroxyethyl(pyrimidin-5-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[2-hydroxyethyl(pyrimidin-5-ylsulfonyl)amino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[2-hydroxyethyl(5-pyrimidinylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[2-hydroxyethyl(pyrimidin-5-ylsulfonyl)amino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[2-hydroxyethyl(5-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=CN=CN=C2

Isomeric SMILES

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

InChI

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