[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)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-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C15H19BrN2O4S/c1-9(2)17-15(21)18-13(19)7-22-14(20)8-23-12-5-4-11(16)6-10(12)3/h4-6,9H,7-8H2,1-3H3,(H2,17,18,19,21)