2-[(5-ethoxycarbonyl-2-oxidanylidene-imidazol-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-2-oxidanylidene-imidazol-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-ethoxycarbonyl-2-oxo-imidazol-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5-ethoxycarbonyl-2-oxo-4-imidazolyl)methylthio]acetic acid IUPAC Name: 2-[(5-ethoxycarbonyl-2-oxoimidazol-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-carbethoxy-2-keto-imidazol-4-yl)methylthio]acetic acid Formula: C9H10N2O5S MolecularWeight: 258.2511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)N=C1CSCC(=O)O

Isomeric SMILES

CCOC(=O)C1=NC(=O)N=C1CSCC(=O)O

InChI

InChI=1S/C9H10N2O5S/c1-2-16-8(14)7-5(10-9(15)11-7)3-17-4-6(12)13/h2-4H2,1H3,(H,12,13)