2-[1-[2-(dimethylamino)-2-oxidanylidene-ethyl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(dimethylamino)-2-oxidanylidene-ethyl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(dimethylamino)-2-oxo-ethyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(dimethylamino)-2-oxoethyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(dimethylamino)-2-oxoethyl]imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(dimethylamino)-2-keto-ethyl]imidazol-2-yl]thio]acetic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C=CN=C1SCC(=O)O

Isomeric SMILES

CN(C)C(=O)CN1C=CN=C1SCC(=O)O

InChI

InChI=1S/C9H13N3O3S/c1-11(2)7(13)5-12-4-3-10-9(12)16-6-8(14)15/h3-4H,5-6H2,1-2H3,(H,14,15)