[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C16H21BrN2O4S/c1-9(2)18-16(22)19-14(20)7-23-15(21)8-24-13-6-10(3)12(17)5-11(13)4/h5-6,9H,7-8H2,1-4H3,(H2,18,19,20,22)