(4E)-2-(4-methoxyphenyl)-4-[(7-methyl-2-phenylsulfanyl-quinolin-3-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(4-methoxyphenyl)-4-[(7-methyl-2-phenylsulfanyl-quinolin-3-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(4-methoxyphenyl)-4-[(7-methyl-2-phenylsulfanyl-3-quinolyl)methylene]oxazol-5-one CAS Name: (4E)-2-(4-methoxyphenyl)-4-[[7-methyl-2-(phenylthio)-3-quinolinyl]methylidene]-5-oxazolone IUPAC Name: (4E)-2-(4-methoxyphenyl)-4-[(7-methyl-2-phenylsulfanylquinolin-3-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(4-methoxyphenyl)-4-[[7-methyl-2-(phenylthio)-3-quinolyl]methylene]-2-oxazolin-5-one Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)OC)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=C/3\C(=O)OC(=N3)C4=CC=C(C=C4)OC)SC5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S/c1-17-8-9-19-15-20(26(29-23(19)14-17)33-22-6-4-3-5-7-22)16-24-27(30)32-25(28-24)18-10-12-21(31-2)13-11-18/h3-16H,1-2H3/b24-16+