4-methyl-7-(2-oxidanylidenepropylsulfanyl)chromen-2-one

Systemtic Name: 4-methyl-7-(2-oxidanylidenepropylsulfanyl)chromen-2-one Openeye Name: 7-acetonylsulfanyl-4-methyl-chromen-2-one CAS Name: 4-methyl-7-(2-oxopropylthio)-1-benzopyran-2-one IUPAC Name: 4-methyl-7-(2-oxopropylsulfanyl)chromen-2-one Traditional Name: 7-(acetonylthio)-4-methyl-coumarin Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3S/c1-8-5-13(15)16-12-6-10(3-4-11(8)12)17-7-9(2)14/h3-6H,7H2,1-2H3