3-[3-(2-carboxyethyl)-2-sulfanylidene-benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-2-sulfanylidene-benzimidazol-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-2-thioxo-benzimidazol-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-2-sulfanylidene-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-2-sulfanylidenebenzimidazol-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-2-thioxo-benzimidazol-1-yl]propionic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)N2CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)N2CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(17)5-7-14-9-3-1-2-4-10(9)15(13(14)20)8-6-12(18)19/h1-4H,5-8H2,(H,16,17)(H,18,19)