4-(4-chlorophenyl)-3-[(5-methoxy-9bH-imidazo[4,5-c]isoquinolin-2-yl)sulfanyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-3-[(5-methoxy-9bH-imidazo[4,5-c]isoquinolin-2-yl)sulfanyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chlorophenyl)-3-[(5-methoxy-9bH-imidazo[4,5-c]isoquinolin-2-yl)sulfanyl]-4-oxo-butanoic acid CAS Name: 4-(4-chlorophenyl)-3-[(5-methoxy-9bH-imidazo[4,5-c]isoquinolin-2-yl)thio]-4-oxobutanoic acid IUPAC Name: 4-(4-chlorophenyl)-3-[(5-methoxy-9bH-imidazo[4,5-c]isoquinolin-2-yl)sulfanyl]-4-oxobutanoic acid Traditional Name: 4-(4-chlorophenyl)-4-keto-3-[(5-methoxy-9bH-imidaz[4,5-c]isoquinolin-2-yl)thio]butyric acid Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=NC(=NC2C3=CC=CC=C31)SC(CC(=O)O)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=NC2=NC(=NC2C3=CC=CC=C31)SC(CC(=O)O)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-29-20-14-5-3-2-4-13(14)17-19(24-20)25-21(23-17)30-15(10-16(26)27)18(28)11-6-8-12(22)9-7-11/h2-9,15,17H,10H2,1H3,(H,26,27)