ethyl 4-(3,4-dimethoxyphenyl)-2-[(6-fluoranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(6-fluoranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(6-fluoro-1H-benzimidazol-2-yl)thio]methyl]-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[(6-fluoro-1H-benzimidazol-2-yl)thio]methyl]-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C30H28FN3O6S MolecularWeight: 577.623223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC4=C(N3)C=C(C=C4)F)OC)OC)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC4=C(N3)C=C(C=C4)F)OC)OC)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H28FN3O6S/c1-6-40-29(35)28-22(15-41-30-33-19-9-8-17(31)12-21(19)34-30)32-20-14-26(39-5)25(38-4)13-18(20)27(28)16-7-10-23(36-2)24(11-16)37-3/h7-14H,6,15H2,1-5H3,(H,33,34)