ethyl 6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-8-[(2-methylimidazol-1-yl)methyl]-7-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-8-[(2-methylimidazol-1-yl)methyl]-7-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-8-[(2-methylimidazol-1-yl)methyl]-7-oxo-1H-quinoline-3-carboxylate CAS Name: 6-methoxy-2-[[(4-methoxyphenyl)thio]methyl]-8-[(2-methyl-1-imidazolyl)methyl]-7-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-2-[(4-methoxyphenyl)sulfanylmethyl]-8-[(2-methylimidazol-1-yl)methyl]-7-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-keto-6-methoxy-2-[[(4-methoxyphenyl)thio]methyl]-8-[(2-methylimidazol-1-yl)methyl]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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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)CSC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3C)CSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O5S/c1-5-34-26(31)20-12-17-13-23(33-4)25(30)21(14-29-11-10-27-16(29)2)24(17)28-22(20)15-35-19-8-6-18(32-3)7-9-19/h6-13,28H,5,14-15H2,1-4H3