4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-hydroxy-chromen-2-one CAS Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-hydroxychromen-2-one Traditional Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-7-hydroxy-coumarin Formula: C18H14O5S MolecularWeight: 342.36576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H14O5S/c19-12-1-3-14-11(7-18(20)23-16(14)8-12)10-24-13-2-4-15-17(9-13)22-6-5-21-15/h1-4,7-9,19H,5-6,10H2