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

Systemtic Name: ethyl 6,7-dimethoxy-4-(2-methoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate hydrochloride Openeye Name: ethyl 6,7-dimethoxy-4-(2-methoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate hydrochloride CAS Name: 6,7-dimethoxy-4-(2-methoxyphenyl)-2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6,7-dimethoxy-4-(2-methoxyphenyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate hydrochloride Traditional Name: 6,7-dimethoxy-4-(2-methoxyphenyl)-2-[[(1-methylimidazol-2-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester hydrochloride Formula: C26H28ClN3O5S MolecularWeight: 530.03562

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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=C4OC.Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CSC3=NC=CN3C)OC)OC)C4=CC=CC=C4OC.Cl

InChI

InChI=1S/C26H27N3O5S.ClH/c1-6-34-25(30)24-19(15-35-26-27-11-12-29(26)2)28-18-14-22(33-5)21(32-4)13-17(18)23(24)16-9-7-8-10-20(16)31-3;/h7-14H,6,15H2,1-5H3;1H