2-[(3-methoxyphenyl)sulfanylcarbonylamino]pentanedioic acid

Systemtic Name: 2-[(3-methoxyphenyl)sulfanylcarbonylamino]pentanedioic acid Openeye Name: 2-[(3-methoxyphenyl)sulfanylcarbonylamino]pentanedioic acid CAS Name: 2-[[[(3-methoxyphenyl)thio]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(3-methoxyphenyl)sulfanylcarbonylamino]pentanedioic acid Traditional Name: 2-[[(3-methoxyphenyl)thio]carbonylamino]glutaric acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO6S/c1-20-8-3-2-4-9(7-8)21-13(19)14-10(12(17)18)5-6-11(15)16/h2-4,7,10H,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18)