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

Systemtic Name: hexyl 2-(8-methoxy-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: hexyl 2-(2-hydroxy-8-methoxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate CAS Name: 2-(2-hydroxy-8-methoxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid hexyl ester IUPAC Name: hexyl 2-(2-hydroxy-8-methoxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Traditional Name: 2-(2-hydroxy-4-keto-8-methoxy-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid hexyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O5S/c1-4-6-8-9-13-30-22(28)16(10-7-5-2)19-20(26)24-23-25(21(19)27)17-12-11-15(29-3)14-18(17)31-23/h11-12,14,16,19-20,26H,4-10,13H2,1-3H3