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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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