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

Systemtic Name: propyl 2-[[(4S)-4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-2-5-23-17(22)9-26-18-13(8-19)12(7-16(21)20-18)11-3-4-14-15(6-11)25-10-24-14/h3-4,6,12H,2,5,7,9-10H2,1H3,(H,20,21)/t12-/m0/s1