3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(2-pyrrolidinylmethoxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propionic acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(NC1)COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C23H25N3O3S/c24-22(25)15-5-8-21-16(10-15)11-19(30-21)12-20(23(27)28)14-3-6-18(7-4-14)29-13-17-2-1-9-26-17/h3-8,10-11,17,20,26H,1-2,9,12-13H2,(H3,24,25)(H,27,28)