4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C21H20O5S/c1-2-13-8-16-14(9-21(23)26-19(16)11-17(13)22)12-27-15-4-5-18-20(10-15)25-7-3-6-24-18/h4-5,8-11,22H,2-3,6-7,12H2,1H3