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

Systemtic Name: ethyl 5-(imidazol-1-ylmethyl)-7-methoxy-2-[(3-methoxyphenyl)sulfanylmethyl]-6-oxidanyl-quinoline-3-carboxylate Openeye Name: ethyl 6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxy-2-[(3-methoxyphenyl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 6-hydroxy-5-(1-imidazolylmethyl)-7-methoxy-2-[[(3-methoxyphenyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxy-2-[(3-methoxyphenyl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 6-hydroxy-5-(imidazol-1-ylmethyl)-7-methoxy-2-[[(3-methoxyphenyl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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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=CC(=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5S/c1-4-33-25(30)19-11-18-20(13-28-9-8-26-15-28)24(29)23(32-3)12-21(18)27-22(19)14-34-17-7-5-6-16(10-17)31-2/h5-12,15,29H,4,13-14H2,1-3H3