S-[2-oxidanylidene-2-[4-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[4-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-[2-(3-pyridylmethylamino)ethoxy]phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-[2-(3-pyridinylmethylamino)ethoxy]phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-[2-(3-pyridylmethylamino)ethoxy]phenyl]ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)OCCNCC2=CN=CC=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)OCCNCC2=CN=CC=C2

InChI

InChI=1S/C18H20N2O3S/c1-14(21)24-13-18(22)16-4-6-17(7-5-16)23-10-9-20-12-15-3-2-8-19-11-15/h2-8,11,20H,9-10,12-13H2,1H3