4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-6-isopropyl-7-methyl-coumarin Formula: C23H24O4S MolecularWeight: 396.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC4=C(C=C3)OCCCO4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC4=C(C=C3)OCCCO4)C(C)C

InChI

InChI=1S/C23H24O4S/c1-14(2)18-12-19-16(10-23(24)27-21(19)9-15(18)3)13-28-17-5-6-20-22(11-17)26-8-4-7-25-20/h5-6,9-12,14H,4,7-8,13H2,1-3H3