3-(4-ethylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-ethylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-ethylphenyl)sulfanyl-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[(4-ethylphenyl)thio]-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid IUPAC Name: 3-(4-ethylphenyl)sulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-[(4-ethylphenyl)thio]-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C24H22N4O3S/c1-2-15-3-6-18(7-4-15)32-14-21(24(30)31)28-23(29)17-5-8-19-20(13-17)27-22(26-19)16-9-11-25-12-10-16/h3-13,21H,2,14H2,1H3,(H,26,27)(H,28,29)(H,30,31)