[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-2-cyano-3-(2-furyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-furyl)acrylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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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=CO3)C#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)/C(=C/C3=CC=CO3)/C#N

InChI

InChI=1S/C22H16N2O4S/c23-14-16(13-17-7-6-12-27-17)22(26)28-15-21(25)24-19-10-4-5-11-20(19)29-18-8-2-1-3-9-18/h1-13H,15H2,(H,24,25)/b16-13+