[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)Br)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)Br)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H21BrN2O4S/c1-11(2)16(22-18(24)15-5-4-10-27-15)19(25)26-12(3)17(23)21-14-8-6-13(20)7-9-14/h4-12,16H,1-3H3,(H,21,23)(H,22,24)