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

Systemtic Name: 6,7-dimethyl-4-[[(4-methylsulfanylphenyl)amino]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-methylsulfanylanilino)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(methylthio)anilino]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-methylsulfanylanilino)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(methylthio)anilino]methyl]coumarin Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C19H19NO2S/c1-12-8-17-14(10-19(21)22-18(17)9-13(12)2)11-20-15-4-6-16(23-3)7-5-15/h4-10,20H,11H2,1-3H3