ethyl 1-[1,1-bis(oxidanylidene)thian-4-yl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-[1,1-bis(oxidanylidene)thian-4-yl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(1,1-dioxothian-4-yl)-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-(1,1-dioxo-4-thianyl)-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,1-dioxothian-4-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-(1,1-diketothian-4-yl)-4-keto-6-(morpholinomethyl)quinoline-3-carboxylic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)CN3CCOCC3)C4CCS(=O)(=O)CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)CN3CCOCC3)C4CCS(=O)(=O)CC4

InChI

InChI=1S/C22H28N2O6S/c1-2-30-22(26)19-15-24(17-5-11-31(27,28)12-6-17)20-4-3-16(13-18(20)21(19)25)14-23-7-9-29-10-8-23/h3-4,13,15,17H,2,5-12,14H2,1H3