ethyl 4-methyl-2-(3-thiophen-3-ylpropanoyloxymethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-(3-thiophen-3-ylpropanoyloxymethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(3-thienyl)propanoyloxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(3-thiophenyl)propoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(3-thiophen-3-ylpropanoyloxymethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[3-(3-thienyl)propanoyloxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCC3=CSC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCC3=CSC=C3)C

InChI

InChI=1S/C21H21NO4S/c1-3-25-21(24)20-14(2)16-6-4-5-7-17(16)22-18(20)12-26-19(23)9-8-15-10-11-27-13-15/h4-7,10-11,13H,3,8-9,12H2,1-2H3