[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-phenylfuran-2-yl)propanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-phenylfuran-2-yl)propanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3-(5-phenyl-2-furyl)propanoate CAS Name: 3-(5-phenyl-2-furanyl)propanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate Traditional Name: 3-(5-phenyl-2-furyl)propionic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c1-28-19-11-7-17(8-12-19)23-21(24)15-26-22(25)14-10-18-9-13-20(27-18)16-5-3-2-4-6-16/h2-9,11-13H,10,14-15H2,1H3,(H,23,24)