6,7-dimethyl-4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[methyl-[4-(methylthio)benzyl]amino]methyl]coumarin Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C21H23NO2S/c1-14-9-19-17(11-21(23)24-20(19)10-15(14)2)13-22(3)12-16-5-7-18(25-4)8-6-16/h5-11H,12-13H2,1-4H3