ethyl 6,7-dimethoxy-4-(4-methoxy-3-methylsulfonyloxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-4-(4-methoxy-3-methylsulfonyloxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 6,7-dimethoxy-4-(4-methoxy-3-methylsulfonyloxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate CAS Name: 6,7-dimethoxy-4-(4-methoxy-3-methylsulfonyloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-4-(4-methoxy-3-methylsulfonyloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate Traditional Name: 6,7-dimethoxy-4-(4-methoxy-3-methylsulfonyloxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid ethyl ester Formula: C25H26N4O8S MolecularWeight: 542.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3C=NC=N3)OC)OC)C4=CC(=C(C=C4)OC)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3C=NC=N3)OC)OC)C4=CC(=C(C=C4)OC)OS(=O)(=O)C

InChI

InChI=1S/C25H26N4O8S/c1-6-36-25(30)24-18(12-29-14-26-13-27-29)28-17-11-21(35-4)20(34-3)10-16(17)23(24)15-7-8-19(33-2)22(9-15)37-38(5,31)32/h7-11,13-14H,6,12H2,1-5H3