butyl 2-[[(4S)-5-cyano-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[(4S)-5-cyano-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[(4S)-5-cyano-4-(5-methyl-2-furyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-cyano-4-(5-methyl-2-furanyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[(4S)-5-cyano-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-5-cyano-2-keto-4-(5-methyl-2-furyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid butyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(O2)C)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C([C@H](CC(=O)N1)C2=CC=C(O2)C)C#N

InChI

InChI=1S/C17H20N2O4S/c1-3-4-7-22-16(21)10-24-17-13(9-18)12(8-15(20)19-17)14-6-5-11(2)23-14/h5-6,12H,3-4,7-8,10H2,1-2H3,(H,19,20)/t12-/m0/s1