(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H20O6S/c1-2-14-3-5-17-15(10-21(23)28-19(17)9-14)12-27-22(24)13-29-16-4-6-18-20(11-16)26-8-7-25-18/h3-6,9-11H,2,7-8,12-13H2,1H3