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

Systemtic Name: 6-chloranyl-7-methyl-4-[[(4-methylsulfanylphenyl)amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-methylsulfanylanilino)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(methylthio)anilino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-methylsulfanylanilino)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(methylthio)anilino]methyl]coumarin Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC=C(C=C3)SC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC=C(C=C3)SC)Cl

InChI

InChI=1S/C18H16ClNO2S/c1-11-7-17-15(9-16(11)19)12(8-18(21)22-17)10-20-13-3-5-14(23-2)6-4-13/h3-9,20H,10H2,1-2H3