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

Systemtic Name: methyl 2-[(4-oxidanylidene-1H-quinolin-8-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 2-[(4-oxo-1H-quinolin-8-yl)sulfanyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[(4-oxo-1H-quinolin-8-yl)thio]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-1H-quinolin-8-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(4-keto-1H-quinolin-8-yl)thio]-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC(=N2)SC3=CC=CC4=C3NC=CC4=O

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC(=N2)SC3=CC=CC4=C3NC=CC4=O

InChI

InChI=1S/C18H13N3O3S/c1-24-17(23)11-5-2-6-12-15(11)21-18(20-12)25-14-7-3-4-10-13(22)8-9-19-16(10)14/h2-9H,1H3,(H,19,22)(H,20,21)