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

Systemtic Name: butyl 2-[[(4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[(4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[(4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid butyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C([C@@H](CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C19H20N2O5S/c1-2-3-6-24-18(23)10-27-19-14(9-20)13(8-17(22)21-19)12-4-5-15-16(7-12)26-11-25-15/h4-5,7,13H,2-3,6,8,10-11H2,1H3,(H,21,22)/t13-/m0/s1