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

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[(1-ethanimidoylpyrrolidin-3-yl)methoxy]phenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-[(1-ethanimidoylpyrrolidin-3-yl)methoxy]phenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[1-(1-iminoethyl)-3-pyrrolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[(1-ethanimidoylpyrrolidin-3-yl)methoxy]phenyl]propanoic acid Traditional Name: 2-[4-[(1-acetimidoylpyrrolidin-3-yl)methoxy]phenyl]-3-(5-amidinobenzothiophen-2-yl)propionic acid Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(C1)COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H28N4O3S/c1-15(26)29-9-8-16(13-29)14-32-20-5-2-17(3-6-20)22(25(30)31)12-21-11-19-10-18(24(27)28)4-7-23(19)33-21/h2-7,10-11,16,22,26H,8-9,12-14H2,1H3,(H3,27,28)(H,30,31)