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

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate Openeye Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]quinoline-3-carboxylate Traditional Name: 4-(5-carbomethoxy-2-methoxy-benzyl)oxy-2-[(2,5-dimethylbenzyl)thio]quinoline-3-carboxylic acid methyl ester Formula: C30H29NO6S MolecularWeight: 531.61936

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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)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)OC

InChI

InChI=1S/C30H29NO6S/c1-18-10-11-19(2)22(14-18)17-38-28-26(30(33)36-5)27(23-8-6-7-9-24(23)31-28)37-16-21-15-20(29(32)35-4)12-13-25(21)34-3/h6-15H,16-17H2,1-5H3