ethyl 2-[[(4R)-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[(4R)-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(4R)-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(4R)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)O)OC)C#N

Isomeric SMILES

CCOC(=O)CSC1=C([C@H](CC(=O)N1)C2=CC(=C(C=C2)O)OC)C#N

InChI

InChI=1S/C17H18N2O5S/c1-3-24-16(22)9-25-17-12(8-18)11(7-15(21)19-17)10-4-5-13(20)14(6-10)23-2/h4-6,11,20H,3,7,9H2,1-2H3,(H,19,21)/t11-/m1/s1