2-[(4-bromophenyl)sulfanylcarbonylamino]pentanedioic acid

Systemtic Name: 2-[(4-bromophenyl)sulfanylcarbonylamino]pentanedioic acid Openeye Name: 2-[(4-bromophenyl)sulfanylcarbonylamino]pentanedioic acid CAS Name: 2-[[[(4-bromophenyl)thio]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(4-bromophenyl)sulfanylcarbonylamino]pentanedioic acid Traditional Name: 2-[[(4-bromophenyl)thio]carbonylamino]glutaric acid Formula: C12H12BrNO5S MolecularWeight: 362.19638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC(=O)NC(CCC(=O)O)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SC(=O)NC(CCC(=O)O)C(=O)O)Br

InChI

InChI=1S/C12H12BrNO5S/c13-7-1-3-8(4-2-7)20-12(19)14-9(11(17)18)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,19)(H,15,16)(H,17,18)