2-[(phenylmethylsulfanyl)carbothioylamino]pentanedioic acid

Systemtic Name: 2-[(phenylmethylsulfanyl)carbothioylamino]pentanedioic acid Openeye Name: 2-(benzylsulfanylcarbothioylamino)pentanedioic acid CAS Name: 2-[[(phenylmethylthio)-sulfanylidenemethyl]amino]pentanedioic acid IUPAC Name: 2-(benzylsulfanylcarbothioylamino)pentanedioic acid Traditional Name: 2-[(benzylthio)carbothioylamino]glutaric acid Formula: C13H15NO4S2 MolecularWeight: 313.3925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO4S2/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)