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

Systemtic Name: pentyl 2-(2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: pentyl 2-(2-hydroxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate CAS Name: 2-(2-hydroxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid pentyl ester IUPAC Name: pentyl 2-(2-hydroxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Traditional Name: 2-(2-hydroxy-4-keto-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid amyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CCCC)C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O

Isomeric SMILES

CCCCCOC(=O)C(CCCC)C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O

InChI

InChI=1S/C21H28N2O4S/c1-3-5-9-13-27-20(26)14(10-6-4-2)17-18(24)22-21-23(19(17)25)15-11-7-8-12-16(15)28-21/h7-8,11-12,14,17-18,24H,3-6,9-10,13H2,1-2H3