methyl 4-methyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[2-(2-thienylmethylsulfanyl)acetyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(thiophen-2-ylmethylthio)ethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[2-(2-thenylthio)acetyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CSCC3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CSCC3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H19NO4S2/c1-13-15-7-3-4-8-16(15)21-17(19(13)20(23)24-2)10-25-18(22)12-26-11-14-6-5-9-27-14/h3-9H,10-12H2,1-2H3