3-[[(2S,4S)-4-sulfanidylpyrrolidin-1-ium-2-yl]carbonylamino]benzoate

Systemtic Name: 3-[[(2S,4S)-4-sulfanidylpyrrolidin-1-ium-2-yl]carbonylamino]benzoate Openeye Name: 3-[[(2S,4S)-4-sulfidopyrrolidin-1-ium-2-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[(2S,4S)-4-sulfido-2-pyrrolidin-1-iumyl]methyl]amino]benzoate IUPAC Name: 3-[[(2S,4S)-4-sulfidopyrrolidin-1-ium-2-carbonyl]amino]benzoate Traditional Name: 3-[[(2S,4S)-4-sulfidopyrrolidin-1-ium-2-carbonyl]amino]benzoate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=CC=CC(=C2)C(=O)[O-])[S-]

Isomeric SMILES

C1[C@@H](C[NH2+][C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)[O-])[S-]

InChI

InChI=1S/C12H14N2O3S/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17)/p-1/t9-,10-/m0/s1