3-(6-azanylpyridin-3-yl)-2-[1-[(5-chloranyl-1-benzothiophen-3-yl)methyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-[(5-chloranyl-1-benzothiophen-3-yl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[(5-chlorobenzothiophen-3-yl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[(5-chlorobenzothiophen-3-yl)methyl]imidazol-4-yl]propionic acid Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CS2)CN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CS2)CN3C=C(N=C3)C(CC4=CN=C(C=C4)N)C(=O)O

InChI

InChI=1S/C20H17ClN4O2S/c21-14-2-3-18-15(6-14)13(10-28-18)8-25-9-17(24-11-25)16(20(26)27)5-12-1-4-19(22)23-7-12/h1-4,6-7,9-11,16H,5,8H2,(H2,22,23)(H,26,27)