methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C20H17N3O2S/c1-12-13-7-3-4-8-14(13)21-17(18(12)19(24)25-2)11-26-20-22-15-9-5-6-10-16(15)23-20/h3-10H,11H2,1-2H3,(H,22,23)