4-(4-chlorophenyl)-3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chlorophenyl)-3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-4-oxo-butanoic acid CAS Name: 4-(4-chlorophenyl)-3-(1H-imidazo[4,5-b]pyridin-2-ylthio)-4-oxobutanoic acid IUPAC Name: 4-(4-chlorophenyl)-3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-4-oxobutanoic acid Traditional Name: 4-(4-chlorophenyl)-3-(1H-imidazo[4,5-b]pyridin-2-ylthio)-4-keto-butyric acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N=C(N2)SC(CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=C(N=C1)N=C(N2)SC(CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O3S/c17-10-5-3-9(4-6-10)14(23)12(8-13(21)22)24-16-19-11-2-1-7-18-15(11)20-16/h1-7,12H,8H2,(H,21,22)(H,18,19,20)