[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23BrN2O4S MolecularWeight: 431.34452

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O4S/c1-10-7-13(11(2)6-12(10)18)25-9-15(22)24-8-14(21)19-16(23)20-17(3,4)5/h6-7H,8-9H2,1-5H3,(H2,19,20,21,23)