1H-benzimidazol-2-ylsulfanylmethyl quinoline-3-carboxylate

Systemtic Name: 1H-benzimidazol-2-ylsulfanylmethyl quinoline-3-carboxylate Openeye Name: 1H-benzimidazol-2-ylsulfanylmethyl quinoline-3-carboxylate CAS Name: 3-quinolinecarboxylic acid (1H-benzimidazol-2-ylthio)methyl ester IUPAC Name: 1H-benzimidazol-2-ylsulfanylmethyl quinoline-3-carboxylate Traditional Name: quinoline-3-carboxylic acid (1H-benzimidazol-2-ylthio)methyl ester Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)OCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H13N3O2S/c22-17(13-9-12-5-1-2-6-14(12)19-10-13)23-11-24-18-20-15-7-3-4-8-16(15)21-18/h1-10H,11H2,(H,20,21)