methyl 2-[[3-(methylsulfinylmethyl)phenyl]carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[3-(methylsulfinylmethyl)phenyl]carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[3-(methylsulfinylmethyl)benzoyl]oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[3-(methylsulfinylmethyl)phenyl]-oxomethoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(methylsulfinylmethyl)benzoyl]oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[3-(methylsulfinylmethyl)benzoyl]oxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C27H23NO5S MolecularWeight: 473.54022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)CS(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)CS(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO5S/c1-32-27(30)25-23(16-33-26(29)20-12-8-9-18(15-20)17-34(2)31)28-22-14-7-6-13-21(22)24(25)19-10-4-3-5-11-19/h3-15H,16-17H2,1-2H3