[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)butanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(2-furoylamino)-4-(methylthio)butyric acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)NC(=O)C2=CC=CO2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)NC(=O)C2=CC=CO2

InChI

InChI=1S/C19H18ClN3O5S/c1-29-8-6-15(23-18(25)16-3-2-7-27-16)19(26)28-11-17(24)22-13-5-4-12(10-21)14(20)9-13/h2-5,7,9,15H,6,8,11H2,1H3,(H,22,24)(H,23,25)