3,4-dimethyl-7-(phenylmethylsulfanyl)chromen-2-one

Systemtic Name: 3,4-dimethyl-7-(phenylmethylsulfanyl)chromen-2-one Openeye Name: 7-benzylsulfanyl-3,4-dimethyl-chromen-2-one CAS Name: 3,4-dimethyl-7-(phenylmethylthio)-1-benzopyran-2-one IUPAC Name: 7-benzylsulfanyl-3,4-dimethylchromen-2-one Traditional Name: 7-(benzylthio)-3,4-dimethyl-coumarin Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C18H16O2S/c1-12-13(2)18(19)20-17-10-15(8-9-16(12)17)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3