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

Systemtic Name: 3-[2-[2-(5-carbamimidoyl-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-pyrrolidin-3-yloxy-phenyl]propanoic acid Openeye Name: 3-[2-[2-(5-carbamimidoylbenzothiophen-2-yl)ethyl]-4-ethoxy-5-pyrrolidin-3-yloxy-phenyl]propanoic acid CAS Name: 3-[2-[2-(5-carbamimidoyl-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(5-carbamimidoyl-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-pyrrolidin-3-yloxyphenyl]propanoic acid Traditional Name: 3-[2-[2-(5-amidinobenzothiophen-2-yl)ethyl]-4-ethoxy-5-pyrrolidin-3-yloxy-phenyl]propionic acid Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CCC2=CC3=C(S2)C=CC(=C3)C(=N)N)CCC(=O)O)OC4CCNC4

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CCC2=CC3=C(S2)C=CC(=C3)C(=N)N)CCC(=O)O)OC4CCNC4

InChI

InChI=1S/C26H31N3O4S/c1-2-32-22-13-16(3-6-21-12-19-11-18(26(27)28)4-7-24(19)34-21)17(5-8-25(30)31)14-23(22)33-20-9-10-29-15-20/h4,7,11-14,20,29H,2-3,5-6,8-10,15H2,1H3,(H3,27,28)(H,30,31)