[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CSC1=CC=C(C=C1)Br

InChI

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