methyl 2-ethylsulfanyl-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate

Systemtic Name: methyl 2-ethylsulfanyl-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate Openeye Name: methyl 2-ethylsulfanyl-4-[(2-methoxy-5-methoxycarbonyl-phenyl)methoxy]quinoline-3-carboxylate CAS Name: 2-(ethylthio)-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethylsulfanyl-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]quinoline-3-carboxylate Traditional Name: 4-(5-carbomethoxy-2-methoxy-benzyl)oxy-2-(ethylthio)quinoline-3-carboxylic acid methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2C(=C1C(=O)OC)OCC3=C(C=CC(=C3)C(=O)OC)OC

Isomeric SMILES

CCSC1=NC2=CC=CC=C2C(=C1C(=O)OC)OCC3=C(C=CC(=C3)C(=O)OC)OC

InChI

InChI=1S/C23H23NO6S/c1-5-31-21-19(23(26)29-4)20(16-8-6-7-9-17(16)24-21)30-13-15-12-14(22(25)28-3)10-11-18(15)27-2/h6-12H,5,13H2,1-4H3