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

Systemtic Name: 2-[4-(2-azanylethoxy)phenyl]-3-(5-carbamimidoyl-1-benzothiophen-2-yl)propanoic acid Openeye Name: 2-[4-(2-aminoethoxy)phenyl]-3-(5-carbamimidoylbenzothiophen-2-yl)propanoic acid CAS Name: 2-[4-(2-aminoethoxy)phenyl]-3-(5-carbamimidoyl-1-benzothiophen-2-yl)propanoic acid IUPAC Name: 2-[4-(2-aminoethoxy)phenyl]-3-(5-carbamimidoyl-1-benzothiophen-2-yl)propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(2-aminoethoxy)phenyl]propionic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC2=CC3=C(S2)C=CC(=C3)C(=N)N)C(=O)O)OCCN

Isomeric SMILES

C1=CC(=CC=C1C(CC2=CC3=C(S2)C=CC(=C3)C(=N)N)C(=O)O)OCCN

InChI

InChI=1S/C20H21N3O3S/c21-7-8-26-15-4-1-12(2-5-15)17(20(24)25)11-16-10-14-9-13(19(22)23)3-6-18(14)27-16/h1-6,9-10,17H,7-8,11,21H2,(H3,22,23)(H,24,25)