(E)-2-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]but-2-enedioic acid

Systemtic Name: (E)-2-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]but-2-enedioic acid Openeye Name: (E)-2-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]but-2-enedioic acid CAS Name: (E)-2-[(6-benzoyl-1H-benzimidazol-2-yl)thio]-2-butenedioic acid IUPAC Name: (E)-2-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]but-2-enedioic acid Traditional Name: (E)-2-[(6-benzoyl-1H-benzimidazol-2-yl)thio]but-2-enedioic acid Formula: C18H12N2O5S MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)SC(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)S/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C18H12N2O5S/c21-15(22)9-14(17(24)25)26-18-19-12-7-6-11(8-13(12)20-18)16(23)10-4-2-1-3-5-10/h1-9H,(H,19,20)(H,21,22)(H,24,25)/b14-9+