[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H16N2O6S/c1-11-6-17(23)21-19(13(11)8-20)28-10-18(24)27-9-14(22)12-2-3-15-16(7-12)26-5-4-25-15/h2-3,6-7H,4-5,9-10H2,1H3,(H,21,23)