methyl 4-methylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]butyric acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C19H20N4O3S/c1-26-19(25)15(7-10-27-2)23-18(24)13-3-4-14-16(11-13)22-17(21-14)12-5-8-20-9-6-12/h3-6,8-9,11,15H,7,10H2,1-2H3,(H,21,22)(H,23,24)