methyl 5-chloranyl-2-[(4-oxidanylidene-1H-quinolin-8-yl)sulfanyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: methyl 5-chloranyl-2-[(4-oxidanylidene-1H-quinolin-8-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 5-chloro-2-[(4-oxo-1H-quinolin-8-yl)sulfanyl]-1H-benzimidazole-4-carboxylate CAS Name: 5-chloro-2-[(4-oxo-1H-quinolin-8-yl)thio]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(4-oxo-1H-quinolin-8-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Traditional Name: 5-chloro-2-[(4-keto-1H-quinolin-8-yl)thio]-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC=CC4=C3NC=CC4=O)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC=CC4=C3NC=CC4=O)Cl

InChI

InChI=1S/C18H12ClN3O3S/c1-25-17(24)14-10(19)5-6-11-16(14)22-18(21-11)26-13-4-2-3-9-12(23)7-8-20-15(9)13/h2-8H,1H3,(H,20,23)(H,21,22)