ethyl 6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-7-oxidanylidene-2-(phenylsulfinylmethyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-7-oxidanylidene-2-(phenylsulfinylmethyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinylmethyl)-6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-7-oxo-1H-quinoline-3-carboxylate CAS Name: 2-(benzenesulfinylmethyl)-6-methoxy-8-[(2-methyl-1-imidazolyl)methyl]-7-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinylmethyl)-6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-7-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-(benzenesulfinylmethyl)-7-keto-6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-1H-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(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3C)CS(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3C)CS(=O)C4=CC=CC=C4

InChI

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