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

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(1-ethanimidoyl-5-methyl-pyrrolidin-3-yl)oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-(1-ethanimidoyl-5-methyl-pyrrolidin-3-yl)oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[1-(1-iminoethyl)-5-methyl-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(1-ethanimidoyl-5-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid Traditional Name: 2-[4-(1-acetimidoyl-5-methyl-pyrrolidin-3-yl)oxyphenyl]-3-(5-amidinobenzothiophen-2-yl)propionic acid Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C(=N)C)OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC1CC(CN1C(=N)C)OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H28N4O3S/c1-14-9-20(13-29(14)15(2)26)32-19-6-3-16(4-7-19)22(25(30)31)12-21-11-18-10-17(24(27)28)5-8-23(18)33-21/h3-8,10-11,14,20,22,26H,9,12-13H2,1-2H3,(H3,27,28)(H,30,31)