1-ethylpyrrolidin-2-one; 3-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]carbonylamino]benzoic acid; hydrochloride

Systemtic Name: 1-ethylpyrrolidin-2-one; 3-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]carbonylamino]benzoic acid; hydrochloride Openeye Name: 1-ethylpyrrolidin-2-one; 3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid; hydrochloride CAS Name: 1-ethyl-2-pyrrolidinone; 3-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid; hydrochloride IUPAC Name: 1-ethylpyrrolidin-2-one; 3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid; hydrochloride Traditional Name: 1-ethyl-2-pyrrolidone; 3-[[(2S,4S)-4-mercaptoprolyl]amino]benzoic acid; hydrochloride Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1=O.C1C(CNC1C(=O)NC2=CC=CC(=C2)C(=O)O)S.Cl

Isomeric SMILES

CCN1CCCC1=O.C1[C@@H](CN[C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)S.Cl

InChI

InChI=1S/C12H14N2O3S.C6H11NO.ClH/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17;1-2-7-5-3-4-6(7)8;/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17);2-5H2,1H3;1H/t9-,10-;;/m0../s1