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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CSC1=C(C=C(C(=C1)C)Br)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CSC1=C(C=C(C(=C1)C)Br)C

InChI

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