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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-bromo-3-methyl-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-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-11(2)17(22-18(24)15-5-4-8-27-15)19(25)26-10-16(23)21-13-6-7-14(20)12(3)9-13/h4-9,11,17H,10H2,1-3H3,(H,21,23)(H,22,24)