4,6-dimethyl-7-(3-oxidanylidenebutan-2-ylsulfanyl)chromen-2-one

Systemtic Name: 4,6-dimethyl-7-(3-oxidanylidenebutan-2-ylsulfanyl)chromen-2-one Openeye Name: 4,6-dimethyl-7-(1-methyl-2-oxo-propyl)sulfanyl-chromen-2-one CAS Name: 4,6-dimethyl-7-(3-oxobutan-2-ylthio)-1-benzopyran-2-one IUPAC Name: 4,6-dimethyl-7-(3-oxobutan-2-ylsulfanyl)chromen-2-one Traditional Name: 7-[(2-keto-1-methyl-propyl)thio]-4,6-dimethyl-coumarin Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)C)SC(C)C(=O)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)C)SC(C)C(=O)C

InChI

InChI=1S/C15H16O3S/c1-8-6-15(17)18-13-7-14(9(2)5-12(8)13)19-11(4)10(3)16/h5-7,11H,1-4H3