methyl 4-methyl-2-[3-(thiophen-2-ylcarbonylamino)propanoyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[3-(thiophen-2-ylcarbonylamino)propanoyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[3-(thiophene-2-carbonylamino)propanoyloxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[3-(thiophene-2-carbonylamino)propanoyloxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[3-(2-thenoylamino)propanoyloxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCNC(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCNC(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-13-14-6-3-4-7-15(14)23-16(19(13)21(26)27-2)12-28-18(24)9-10-22-20(25)17-8-5-11-29-17/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)