2-[[(2-methylphenyl)amino]methyl]-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 2-[[(2-methylphenyl)amino]methyl]-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Openeye Name: 6-hydroxy-2-[(2-methylanilino)methyl]-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[(2-methylanilino)methyl]-5-(phenethylthio)-2-phenyl-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-[(2-methylanilino)methyl]-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-(o-toluidinomethyl)-5-(phenethylthio)-2-phenyl-3H-pyran-4-one Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NCC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO3S/c1-20-10-8-9-15-23(20)28-19-27(22-13-6-3-7-14-22)18-24(29)25(26(30)31-27)32-17-16-21-11-4-2-5-12-21/h2-15,28,30H,16-19H2,1H3