2-(1-ethoxycarbonylimidazol-4-yl)butanethioic S-acid

Systemtic Name: 2-(1-ethoxycarbonylimidazol-4-yl)butanethioic S-acid Openeye Name: 2-(1-ethoxycarbonylimidazol-4-yl)butanethioic S-acid CAS Name: 2-(1-ethoxycarbonyl-4-imidazolyl)butanethioic S-acid IUPAC Name: 2-(1-ethoxycarbonylimidazol-4-yl)butanethioic S-acid Traditional Name: 2-(1-carbethoxyimidazol-4-yl)thiobutyric acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(C=N1)C(=O)OCC)C(=O)S

Isomeric SMILES

CCC(C1=CN(C=N1)C(=O)OCC)C(=O)S

InChI

InChI=1S/C10H14N2O3S/c1-3-7(9(13)16)8-5-12(6-11-8)10(14)15-4-2/h5-7H,3-4H2,1-2H3,(H,13,16)