3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(2-imidazolin-2-ylmethoxy)phenyl]propionic acid Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CN=C(N1)COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C22H22N4O3S/c23-21(24)14-3-6-19-15(9-14)10-17(30-19)11-18(22(27)28)13-1-4-16(5-2-13)29-12-20-25-7-8-26-20/h1-6,9-10,18H,7-8,11-12H2,(H3,23,24)(H,25,26)(H,27,28)