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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-chromen-2-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-chromen-2-one CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methylchromen-2-one Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-methyl-coumarin Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H18O4S/c1-13-3-5-16-14(10-20(21)24-18(16)9-13)12-25-15-4-6-17-19(11-15)23-8-2-7-22-17/h3-6,9-11H,2,7-8,12H2,1H3