ethyl 8-(imidazol-1-ylmethyl)-6-methoxy-2-[(3-methylphenyl)sulfanylmethyl]-7-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 8-(imidazol-1-ylmethyl)-6-methoxy-2-[(3-methylphenyl)sulfanylmethyl]-7-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 8-(imidazol-1-ylmethyl)-6-methoxy-2-(m-tolylsulfanylmethyl)-7-oxo-1H-quinoline-3-carboxylate CAS Name: 8-(1-imidazolylmethyl)-6-methoxy-2-[[(3-methylphenyl)thio]methyl]-7-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(imidazol-1-ylmethyl)-6-methoxy-2-[(3-methylphenyl)sulfanylmethyl]-7-oxo-1H-quinoline-3-carboxylate Traditional Name: 8-(imidazol-1-ylmethyl)-7-keto-6-methoxy-2-[(m-tolylthio)methyl]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3)CSC4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=O)C(=CC2=C1)OC)CN3C=CN=C3)CSC4=CC=CC(=C4)C

InChI

InChI=1S/C25H25N3O4S/c1-4-32-25(30)19-11-17-12-22(31-3)24(29)20(13-28-9-8-26-15-28)23(17)27-21(19)14-33-18-7-5-6-16(2)10-18/h5-12,15,27H,4,13-14H2,1-3H3