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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7,8-dimethyl-coumarin Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C21H20O4S/c1-13-4-6-17-15(10-20(22)25-21(17)14(13)2)12-26-16-5-7-18-19(11-16)24-9-3-8-23-18/h4-7,10-11H,3,8-9,12H2,1-2H3