methyl 4-methyl-2-(3-phenylsulfanylpropanoyloxymethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(3-phenylsulfanylpropanoyloxymethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-(3-phenylsulfanylpropanoyloxymethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(phenylthio)propoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(3-phenylsulfanylpropanoyloxymethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[3-(phenylthio)propanoyloxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCSC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCSC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21NO4S/c1-15-17-10-6-7-11-18(17)23-19(21(15)22(25)26-2)14-27-20(24)12-13-28-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3