methyl 2-[2-[4-(1,3-dithian-2-yl)phenoxy]ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(1,3-dithian-2-yl)phenoxy]ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)COC3=CC=C(C=C3)C4SCCCS4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)COC3=CC=C(C=C3)C4SCCCS4)C(=O)OC

InChI

InChI=1S/C25H25NO5S2/c1-16-19-6-3-4-7-20(19)26-21(23(16)24(28)29-2)14-31-22(27)15-30-18-10-8-17(9-11-18)25-32-12-5-13-33-25/h3-4,6-11,25H,5,12-15H2,1-2H3