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

Systemtic Name: cyclohexyl 2-(2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O)C(=O)OC4CCCCC4

Isomeric SMILES

CCCCC(C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H28N2O4S/c1-2-3-11-15(21(27)28-14-9-5-4-6-10-14)18-19(25)23-22-24(20(18)26)16-12-7-8-13-17(16)29-22/h7-8,12-15,18-19,25H,2-6,9-11H2,1H3