4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoic acid

Systemtic Name: 4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoic acid Openeye Name: 4-(5-carbamimidoylbenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoic acid CAS Name: 4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-[4-(3-pyrrolidinyloxy)phenyl]butanoic acid IUPAC Name: 4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoic acid Traditional Name: 4-(5-amidinobenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butyric acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)CC(=O)O

InChI

InChI=1S/C23H25N3O3S/c24-23(25)15-3-6-21-17(9-15)11-20(30-21)10-16(12-22(27)28)14-1-4-18(5-2-14)29-19-7-8-26-13-19/h1-6,9,11,16,19,26H,7-8,10,12-13H2,(H3,24,25)(H,27,28)