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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(N=C2N(C1=O)C3=C(S2)C=C(C=C3)C)O)C(=O)OCCC(C)C

Isomeric SMILES

CCCCC(C1C(N=C2N(C1=O)C3=C(S2)C=C(C=C3)C)O)C(=O)OCCC(C)C

InChI

InChI=1S/C22H30N2O4S/c1-5-6-7-15(21(27)28-11-10-13(2)3)18-19(25)23-22-24(20(18)26)16-9-8-14(4)12-17(16)29-22/h8-9,12-13,15,18-19,25H,5-7,10-11H2,1-4H3