[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4S/c1-5-18-16(22)19-15(21)11(4)23-14(20)8-24-13-7-9(2)12(17)6-10(13)3/h6-7,11H,5,8H2,1-4H3,(H2,18,19,21,22)