ethyl 4-methyl-2-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyloxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyloxymethyl]quinoline-3-carboxylate Traditional Name: 2-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoyloxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCN3C=NC4=C(C3=O)C=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCN3C=NC4=C(C3=O)C=CS4)C

InChI

InChI=1S/C23H21N3O5S/c1-3-30-23(29)20-14(2)15-6-4-5-7-17(15)25-18(20)12-31-19(27)8-10-26-13-24-21-16(22(26)28)9-11-32-21/h4-7,9,11,13H,3,8,10,12H2,1-2H3