ethanedioic acid; 5-methoxy-1-pyridin-2-yl-2-[(E)-2-thiophen-3-ylethenyl]benzimidazole

Systemtic Name: ethanedioic acid; 5-methoxy-1-pyridin-2-yl-2-[(E)-2-thiophen-3-ylethenyl]benzimidazole Openeye Name: 5-methoxy-1-(2-pyridyl)-2-[(E)-2-(3-thienyl)vinyl]benzimidazole; oxalic acid CAS Name: 5-methoxy-1-(2-pyridinyl)-2-[(E)-2-(3-thiophenyl)ethenyl]benzimidazole; oxalic acid IUPAC Name: 5-methoxy-1-pyridin-2-yl-2-[(E)-2-thiophen-3-ylethenyl]benzimidazole; oxalic acid Traditional Name: 5-methoxy-1-(2-pyridyl)-2-[(E)-2-(3-thienyl)vinyl]benzimidazole; oxalic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)C=CC3=CSC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)/C=C/C3=CSC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H15N3OS.C2H2O4/c1-23-15-6-7-17-16(12-15)21-19(8-5-14-9-11-24-13-14)22(17)18-4-2-3-10-20-18;3-1(4)2(5)6/h2-13H,1H3;(H,3,4)(H,5,6)/b8-5+;