ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxidanidyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxidanidyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxido-quinolin-1-ium-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-1-oxido-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxidoquinolin-1-ium-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-1-oxido-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2[N+](=C1CSC3=NC=CN3C)[O-])OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2[N+](=C1CSC3=NC=CN3C)[O-])OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N3O7S/c1-7-37-26(31)25-19(15-38-27-28-10-11-29(27)2)30(32)18-14-23(36-6)22(35-5)13-17(18)24(25)16-8-9-20(33-3)21(12-16)34-4/h8-14H,7,15H2,1-6H3