2-[[oxidanyl-[(phenylcarbamothioylamino)methyl]phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[oxidanyl-[(phenylcarbamothioylamino)methyl]phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[(phenylcarbamothioylamino)methyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[[[anilino(sulfanylidene)methyl]amino]methyl-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(phenylcarbamothioylamino)methyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[(phenylthiocarbamoylamino)methyl]phosphoryl]methyl]glutaric acid Formula: C14H19N2O6PS MolecularWeight: 374.349221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N2O6PS/c17-12(18)7-6-10(13(19)20)8-23(21,22)9-15-14(24)16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,17,18)(H,19,20)(H,21,22)(H2,15,16,24)