hexyl 2-(8-methyl-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate

Systemtic Name: hexyl 2-(8-methyl-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: hexyl 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate CAS Name: 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid hexyl ester IUPAC Name: hexyl 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Traditional Name: 2-(2-hydroxy-4-keto-8-methyl-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid hexyl ester Formula: C23H32N2O4S MolecularWeight: 432.57618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCCC)C1C(N=C2N(C1=O)C3=C(S2)C=C(C=C3)C)O

Isomeric SMILES

CCCCCCOC(=O)C(CCCC)C1C(N=C2N(C1=O)C3=C(S2)C=C(C=C3)C)O

InChI

InChI=1S/C23H32N2O4S/c1-4-6-8-9-13-29-22(28)16(10-7-5-2)19-20(26)24-23-25(21(19)27)17-12-11-15(3)14-18(17)30-23/h11-12,14,16,19-20,26H,4-10,13H2,1-3H3