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

Systemtic Name: 2-methoxyethyl 3-phenylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S/c1-32-13-14-33-25(31)22(16-34-19-5-3-2-4-6-19)29-24(30)18-7-8-20-21(15-18)28-23(27-20)17-9-11-26-12-10-17/h2-12,15,22H,13-14,16H2,1H3,(H,27,28)(H,29,30)