7,8-dimethyl-4-(3-phenylprop-2-enylsulfanylmethyl)chromen-2-one

Systemtic Name: 7,8-dimethyl-4-(3-phenylprop-2-enylsulfanylmethyl)chromen-2-one Openeye Name: 4-(cinnamylsulfanylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[(3-phenylprop-2-enylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(3-phenylprop-2-enylsulfanylmethyl)chromen-2-one Traditional Name: 4-[(cinnamylthio)methyl]-7,8-dimethyl-coumarin Formula: C21H20O2S MolecularWeight: 336.4473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC=CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20O2S/c1-15-10-11-19-18(13-20(22)23-21(19)16(15)2)14-24-12-6-9-17-7-4-3-5-8-17/h3-11,13H,12,14H2,1-2H3