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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (2-oxo-2-ureido-ethyl) 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (2-keto-2-ureido-ethyl) ester Formula: C12H13BrN2O4S MolecularWeight: 361.21162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O4S/c1-7-4-8(13)2-3-9(7)20-6-11(17)19-5-10(16)15-12(14)18/h2-4H,5-6H2,1H3,(H3,14,15,16,18)