methyl 4-methylsulfanyl-2-oxidanylidene-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyran-3-carboxylate

Systemtic Name: methyl 4-methylsulfanyl-2-oxidanylidene-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyran-3-carboxylate Openeye Name: methyl 4-methylsulfanyl-2-oxo-6-[4-[2-(1-piperidyl)ethoxy]phenyl]pyran-3-carboxylate CAS Name: 4-(methylthio)-2-oxo-6-[4-[2-(1-piperidinyl)ethoxy]phenyl]-3-pyrancarboxylic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-oxo-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyran-3-carboxylate Traditional Name: 2-keto-4-(methylthio)-6-[4-(2-piperidinoethoxy)phenyl]pyran-3-carboxylic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(OC1=O)C2=CC=C(C=C2)OCCN3CCCCC3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(OC1=O)C2=CC=C(C=C2)OCCN3CCCCC3)SC

InChI

InChI=1S/C21H25NO5S/c1-25-20(23)19-18(28-2)14-17(27-21(19)24)15-6-8-16(9-7-15)26-13-12-22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3