7,8-dimethyl-4-[(phenylmethylsulfanyl)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(phenylmethylsulfanyl)methyl]chromen-2-one Openeye Name: 4-(benzylsulfanylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[(phenylmethylthio)methyl]-1-benzopyran-2-one IUPAC Name: 4-(benzylsulfanylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-[(benzylthio)methyl]-7,8-dimethyl-coumarin Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C19H18O2S/c1-13-8-9-17-16(10-18(20)21-19(17)14(13)2)12-22-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3