3-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-[(5-methoxy-2-thioxo-3H-benzimidazol-1-yl)sulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-[(5-methoxy-2-thioxo-3H-benzimidazol-1-yl)sulfonyl]phenyl]propionic acid Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=S)N2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=S)N2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C17H16N2O5S2/c1-24-12-5-8-15-14(10-12)18-17(25)19(15)26(22,23)13-6-2-11(3-7-13)4-9-16(20)21/h2-3,5-8,10H,4,9H2,1H3,(H,18,25)(H,20,21)