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

Systemtic Name: (E)-2-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]sulfanyl]but-2-enedioic acid Openeye Name: (E)-2-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-enedioic acid CAS Name: (E)-2-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]thio]-2-butenedioic acid IUPAC Name: (E)-2-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-enedioic acid Traditional Name: (E)-2-[(6-benzyl-1H-benzimidazol-2-yl)thio]but-2-enedioic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)N=C(N3)SC(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)N=C(N3)S/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C18H14N2O4S/c21-16(22)10-15(17(23)24)25-18-19-13-7-6-12(9-14(13)20-18)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,20)(H,21,22)(H,23,24)/b15-10+