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

Systemtic Name: 7-methoxy-4-[[(4-methylsulfanylphenyl)amino]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[(4-methylsulfanylanilino)methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(methylthio)anilino]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(4-methylsulfanylanilino)methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(methylthio)anilino]methyl]coumarin Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H17NO3S/c1-21-14-5-8-16-12(9-18(20)22-17(16)10-14)11-19-13-3-6-15(23-2)7-4-13/h3-10,19H,11H2,1-2H3