4,8-dimethyl-7-(2-oxidanylidenepropylsulfanyl)chromen-2-one

Systemtic Name: 4,8-dimethyl-7-(2-oxidanylidenepropylsulfanyl)chromen-2-one Openeye Name: 7-acetonylsulfanyl-4,8-dimethyl-chromen-2-one CAS Name: 4,8-dimethyl-7-(2-oxopropylthio)-1-benzopyran-2-one IUPAC Name: 4,8-dimethyl-7-(2-oxopropylsulfanyl)chromen-2-one Traditional Name: 7-(acetonylthio)-4,8-dimethyl-coumarin Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)SCC(=O)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)SCC(=O)C

InChI

InChI=1S/C14H14O3S/c1-8-6-13(16)17-14-10(3)12(5-4-11(8)14)18-7-9(2)15/h4-6H,7H2,1-3H3