7-ethyl-4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(C=C3)SC

InChI

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