[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H18ClFN2O4S MolecularWeight: 412.862923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)F)Cl)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)F)Cl)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H18ClFN2O4S/c1-10(2)16(22-17(24)14-4-3-7-27-14)18(25)26-9-15(23)21-13-6-5-11(20)8-12(13)19/h3-8,10,16H,9H2,1-2H3,(H,21,23)(H,22,24)