ethyl 4-methyl-2-[(4-methylsulfinylphenyl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-methylsulfinylphenyl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-methylsulfinylbenzoyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-methylsulfinylphenyl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-methylsulfinylbenzoyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-methylsulfinylbenzoyl)oxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)S(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)S(=O)C)C

InChI

InChI=1S/C22H21NO5S/c1-4-27-22(25)20-14(2)17-7-5-6-8-18(17)23-19(20)13-28-21(24)15-9-11-16(12-10-15)29(3)26/h5-12H,4,13H2,1-3H3