S-[2-[4-[[2-hydroxyethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[[2-hydroxyethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[[2-hydroxyethyl(2-pyridylmethyl)amino]methyl]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[[2-hydroxyethyl(2-pyridinylmethyl)amino]methyl]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[[2-hydroxyethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[[2-hydroxyethyl(2-pyridylmethyl)amino]methyl]phenyl]-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=N2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=N2

InChI

InChI=1S/C19H22N2O3S/c1-15(23)25-14-19(24)17-7-5-16(6-8-17)12-21(10-11-22)13-18-4-2-3-9-20-18/h2-9,22H,10-14H2,1H3