4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-hydroxy-8-methyl-coumarin Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C20H18O5S/c1-12-16(21)5-4-15-13(9-19(22)25-20(12)15)11-26-14-3-6-17-18(10-14)24-8-2-7-23-17/h3-6,9-10,21H,2,7-8,11H2,1H3