[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H19FN2O4S MolecularWeight: 378.417863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)F)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19FN2O4S/c1-11(2)16(21-17(23)14-4-3-9-26-14)18(24)25-10-15(22)20-13-7-5-12(19)6-8-13/h3-9,11,16H,10H2,1-2H3,(H,20,22)(H,21,23)/t16-/m1/s1