[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H20N2O3S/c29-24(28-22-13-4-5-14-23(22)32-21-11-2-1-3-12-21)18-31-25(30)16-15-20-9-6-8-19-10-7-17-27-26(19)20/h1-17H,18H2,(H,28,29)/b16-15+