ethyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C26H25N3O6S MolecularWeight: 507.5582

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O6S/c1-5-33-25(30)24-18(13-36-26-27-8-9-29(26)2)28-17-12-21(32-4)20(31-3)11-16(17)23(24)15-6-7-19-22(10-15)35-14-34-19/h6-12H,5,13-14H2,1-4H3