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

Systemtic Name: pentyl 2-(8-methyl-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-4-6-8-12-28-21(27)15(9-7-5-2)18-19(25)23-22-24(20(18)26)16-11-10-14(3)13-17(16)29-22/h10-11,13,15,18-19,25H,4-9,12H2,1-3H3