ethyl 3-phenylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C(CSC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

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