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

Systemtic Name: ethyl 4-methyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CSCC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CSCC3=CC=CS3)C

InChI

InChI=1S/C21H21NO4S2/c1-3-25-21(24)20-14(2)16-8-4-5-9-17(16)22-18(20)11-26-19(23)13-27-12-15-7-6-10-28-15/h4-10H,3,11-13H2,1-2H3