ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-5-32-24(29)23-19(15-33-25-26-11-12-28(25)2)27-18-14-21(31-4)20(30-3)13-17(18)22(23)16-9-7-6-8-10-16/h6-14H,5,15H2,1-4H3