3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-(4-pyrrolidin-3-ylsulfanylphenyl)propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-(4-pyrrolidin-3-ylsulfanylphenyl)propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-(4-pyrrolidin-3-ylsulfanylphenyl)propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(3-pyrrolidinylthio)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-(4-pyrrolidin-3-ylsulfanylphenyl)propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(pyrrolidin-3-ylthio)phenyl]propionic acid Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCC1SC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C22H23N3O2S2/c23-21(24)14-3-6-20-15(9-14)10-18(29-20)11-19(22(26)27)13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)