4-methyl-7-(3-oxidanylidenebutan-2-ylsulfanyl)chromen-2-one

Systemtic Name: 4-methyl-7-(3-oxidanylidenebutan-2-ylsulfanyl)chromen-2-one Openeye Name: 4-methyl-7-(1-methyl-2-oxo-propyl)sulfanyl-chromen-2-one CAS Name: 4-methyl-7-(3-oxobutan-2-ylthio)-1-benzopyran-2-one IUPAC Name: 4-methyl-7-(3-oxobutan-2-ylsulfanyl)chromen-2-one Traditional Name: 7-[(2-keto-1-methyl-propyl)thio]-4-methyl-coumarin Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)SC(C)C(=O)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)SC(C)C(=O)C

InChI

InChI=1S/C14H14O3S/c1-8-6-14(16)17-13-7-11(4-5-12(8)13)18-10(3)9(2)15/h4-7,10H,1-3H3