3-(1-oxidanylidene-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propanoic acid

Systemtic Name: 3-(1-oxidanylidene-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propanoic acid Openeye Name: 3-(1-oxo-3-thioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propanoic acid CAS Name: 3-(1-oxo-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propanoic acid IUPAC Name: 3-(1-oxo-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propanoic acid Traditional Name: 3-(1-keto-3-thioxo-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazol-2-yl)propionic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(C(=S)N2C1)CCC(=O)O

Isomeric SMILES

C1CC2C(=O)N(C(=S)N2C1)CCC(=O)O

InChI

InChI=1S/C9H12N2O3S/c12-7(13)3-5-11-8(14)6-2-1-4-10(6)9(11)15/h6H,1-5H2,(H,12,13)