4-azanyl-2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-keto-butyric acid Formula: C12H13BrN2O4S MolecularWeight: 361.21162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC(CC(=O)N)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC(CC(=O)N)C(=O)O)Br

InChI

InChI=1S/C12H13BrN2O4S/c13-7-1-3-8(4-2-7)20-6-11(17)15-9(12(18)19)5-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)