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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: (7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-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 (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H18O6S/c1-13-2-4-16-14(9-20(22)27-18(16)8-13)11-26-21(23)12-28-15-3-5-17-19(10-15)25-7-6-24-17/h2-5,8-10H,6-7,11-12H2,1H3