3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid Traditional Name: 2-[4-(1-acetimidoylpyrrolidin-3-yl)oxyphenyl]-3-(5-amidinobenzothiophen-2-yl)propionic acid Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H26N4O3S/c1-14(25)28-9-8-19(13-28)31-18-5-2-15(3-6-18)21(24(29)30)12-20-11-17-10-16(23(26)27)4-7-22(17)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)