[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)SCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)SCC3=CC=CO3

InChI

InChI=1S/C21H15ClN2O4S/c22-18-10-15(8-7-14(18)11-23)24-20(25)12-28-21(26)17-5-1-2-6-19(17)29-13-16-4-3-9-27-16/h1-10H,12-13H2,(H,24,25)