1-(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)ethylsulfanylmethanoic acid

Systemtic Name: 1-(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)ethylsulfanylmethanoic acid Openeye Name: 1-(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-6-yl)ethylsulfanylformic acid CAS Name: [1-[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]ethylthio]formic acid IUPAC Name: 1-(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)ethylsulfanylformic acid Traditional Name: [1-(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-6-yl)ethylthio]formic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3)SC(=O)O

Isomeric SMILES

CC(C1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3)SC(=O)O

InChI

InChI=1S/C18H23N3O4S/c1-11(26-17(22)23)15-13(9-19)12-8-18(2,3)25-10-14(12)16(20-15)21-4-6-24-7-5-21/h11H,4-8,10H2,1-3H3,(H,22,23)