7,8-dimethyl-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-(o-tolylmethylsulfanylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-[[(2-methylphenyl)methylthio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[(2-methylbenzyl)thio]methyl]coumarin Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3C)C

InChI

InChI=1S/C20H20O2S/c1-13-8-9-18-17(10-19(21)22-20(18)15(13)3)12-23-11-16-7-5-4-6-14(16)2/h4-10H,11-12H2,1-3H3