2-[[(3Z)-4-azanyl-3-[(4-methylsulfinylfuran-2-yl)methylidene]-2-oxidanylidene-imidazolidin-3-ium-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[[(3Z)-4-azanyl-3-[(4-methylsulfinylfuran-2-yl)methylidene]-2-oxidanylidene-imidazolidin-3-ium-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[[(3Z)-4-amino-3-[(4-methylsulfinyl-2-furyl)methylene]-2-oxo-imidazolidin-3-ium-1-carbonyl]amino]-2-(2-thienyl)acetic acid CAS Name: 2-[[[(3Z)-4-amino-3-[(4-methylsulfinyl-2-furanyl)methylidene]-2-oxo-1-imidazolidin-3-iumyl]-oxomethyl]amino]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[[(3Z)-4-amino-3-[(4-methylsulfinylfuran-2-yl)methylidene]-2-oxoimidazolidin-3-ium-1-carbonyl]amino]-2-thiophen-2-ylacetic acid Traditional Name: 2-[[(3Z)-4-amino-2-keto-3-[(4-methylsulfinyl-2-furyl)methylene]imidazolidin-3-ium-1-carbonyl]amino]-2-(2-thienyl)acetic acid Formula: C16H17N4O6S2+ MolecularWeight: 425.45938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=COC(=C1)C=[N+]2C(CN(C2=O)C(=O)NC(C3=CC=CS3)C(=O)O)N

Isomeric SMILES

CS(=O)C1=COC(=C1)/C=[N+]\2/C(CN(C2=O)C(=O)NC(C3=CC=CS3)C(=O)O)N

InChI

InChI=1S/C16H16N4O6S2/c1-28(25)10-5-9(26-8-10)6-19-12(17)7-20(16(19)24)15(23)18-13(14(21)22)11-3-2-4-27-11/h2-6,8,12-13H,7,17H2,1H3,(H-,18,21,22,23)/p+1/b19-6-