methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C13H16ClFN2O3S MolecularWeight: 334.794143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H16ClFN2O3S/c1-20-12(18)11(5-6-21-2)17-13(19)16-8-3-4-10(15)9(14)7-8/h3-4,7,11H,5-6H2,1-2H3,(H2,16,17,19)