[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(5-bromo-2-furyl)prop-2-enoate CAS Name: 3-(5-bromo-2-furanyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: 3-(5-bromo-2-furyl)acrylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C=CC3=CC=C(O3)Br

InChI

InChI=1S/C21H16BrNO4S/c22-19-12-10-15(27-19)11-13-21(25)26-14-20(24)23-17-8-4-5-9-18(17)28-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24)