ethyl 5-[3-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]sulfanyl-4-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[3-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]sulfanyl-4-oxidanylidene-pentanoate Openeye Name: ethyl 5-[3-[2-[6-(methylamino)-2-pyridyl]ethoxy]phenyl]sulfanyl-4-oxo-pentanoate CAS Name: 5-[[3-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]thio]-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]sulfanyl-4-oxopentanoate Traditional Name: 4-keto-5-[[3-[2-[6-(methylamino)-2-pyridyl]ethoxy]phenyl]thio]valeric acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)CSC1=CC=CC(=C1)OCCC2=NC(=CC=C2)NC

Isomeric SMILES

CCOC(=O)CCC(=O)CSC1=CC=CC(=C1)OCCC2=NC(=CC=C2)NC

InChI

InChI=1S/C21H26N2O4S/c1-3-26-21(25)11-10-17(24)15-28-19-8-5-7-18(14-19)27-13-12-16-6-4-9-20(22-2)23-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,23)