methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(5-methanoyl-2-methoxy-phenyl)methoxy]quinoline-3-carboxylate

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(5-methanoyl-2-methoxy-phenyl)methoxy]quinoline-3-carboxylate Openeye Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(5-formyl-2-methoxy-phenyl)methoxy]quinoline-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-[(5-formyl-2-methoxyphenyl)methoxy]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(5-formyl-2-methoxyphenyl)methoxy]quinoline-3-carboxylate Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-4-(5-formyl-2-methoxy-benzyl)oxy-quinoline-3-carboxylic acid methyl ester Formula: C29H27NO5S MolecularWeight: 501.59338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=C2C(=O)OC)OCC4=C(C=CC(=C4)C=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=C2C(=O)OC)OCC4=C(C=CC(=C4)C=O)OC

InChI

InChI=1S/C29H27NO5S/c1-18-9-10-19(2)22(13-18)17-36-28-26(29(32)34-4)27(23-7-5-6-8-24(23)30-28)35-16-21-14-20(15-31)11-12-25(21)33-3/h5-15H,16-17H2,1-4H3