[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C12H15BrN2O4S2 MolecularWeight: 395.2925

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)N

InChI

InChI=1S/C12H15BrN2O4S2/c1-20-5-4-7(15-12(14)18)11(17)19-6-8(16)9-2-3-10(13)21-9/h2-3,7H,4-6H2,1H3,(H3,14,15,18)/t7-/m0/s1