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

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanylmethyl]-6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-7-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanylmethyl]-6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-7-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[(4-chlorophenyl)methylthio]methyl]-6-methoxy-8-[(2-methyl-1-imidazolyl)methyl]-7-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanylmethyl]-6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-7-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[(4-chlorobenzyl)thio]methyl]-7-keto-6-methoxy-8-[(2-methylimidazol-1-yl)methyl]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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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)CSCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3C)CSCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O4S/c1-4-34-26(32)20-11-18-12-23(33-3)25(31)21(13-30-10-9-28-16(30)2)24(18)29-22(20)15-35-14-17-5-7-19(27)8-6-17/h5-12,29H,4,13-15H2,1-3H3