ethyl 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-5-(imidazol-1-ylmethyl)-7-methoxy-6-oxidanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-5-(imidazol-1-ylmethyl)-7-methoxy-6-oxidanyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxy-quinoline-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyphenyl)thio]methyl]-6-hydroxy-5-(1-imidazolylmethyl)-7-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxyquinoline-3-carboxylate Traditional Name: 2-[[(3,4-dimethoxyphenyl)thio]methyl]-6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3C=CN=C3)O)OC)CSC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=C(C2=C1)CN3C=CN=C3)O)OC)CSC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H27N3O6S/c1-5-35-26(31)18-11-17-19(13-29-9-8-27-15-29)25(30)24(34-4)12-20(17)28-21(18)14-36-16-6-7-22(32-2)23(10-16)33-3/h6-12,15,30H,5,13-14H2,1-4H3