1-benzothiophen-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone; (E)-but-2-enedioic acid

Systemtic Name: 1-benzothiophen-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone; (E)-but-2-enedioic acid Openeye Name: benzothiophen-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone; fumaric acid CAS Name: 1-benzothiophen-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone; (E)-2-butenedioic acid IUPAC Name: 1-benzothiophen-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone; (E)-but-2-enedioic acid Traditional Name: benzothiophen-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone; fumaric acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)C3=CSC4=CC=CC=C43)NC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)C3=CSC4=CC=CC=C43)NC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H14N2OS.C4H4O4/c19-16(10-5-6-13-14(7-10)18-9-17-13)12-8-20-15-4-2-1-3-11(12)15;5-3(6)1-2-4(7)8/h1-4,8-10H,5-7H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+