3-[(1-phosphanyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(1-phosphanyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(1-phosphanyl-4-sulfanyl-pyrrolidine-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(4-mercapto-1-phosphino-2-pyrrolidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-phosphanyl-4-sulfanylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(4-mercapto-1-phosphino-prolyl)amino]benzoic acid Formula: C12H15N2O3PS MolecularWeight: 298.297861

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CC=CC(=C2)C(=O)O)P)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC=CC(=C2)C(=O)O)P)S

InChI

InChI=1S/C12H15N2O3PS/c15-11(10-5-9(19)6-14(10)18)13-8-3-1-2-7(4-8)12(16)17/h1-4,9-10,19H,5-6,18H2,(H,13,15)(H,16,17)