4-[(3R)-3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(3R)-3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-3-(2-imidazolin-1-ium-2-ylthio)-2,5-diketo-pyrrolidino]benzoate Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)S[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c18-11-7-10(22-14-15-5-6-16-14)12(19)17(11)9-3-1-8(2-4-9)13(20)21/h1-4,10H,5-7H2,(H,15,16)(H,20,21)/t10-/m1/s1