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

Systemtic Name: butyl 2-(8-methoxy-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: butyl 2-(2-hydroxy-8-methoxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate CAS Name: 2-(2-hydroxy-8-methoxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid butyl ester IUPAC Name: butyl 2-(2-hydroxy-8-methoxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Traditional Name: 2-(2-hydroxy-4-keto-8-methoxy-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid butyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-4-6-8-14(20(26)28-11-7-5-2)17-18(24)22-21-23(19(17)25)15-10-9-13(27-3)12-16(15)29-21/h9-10,12,14,17-18,24H,4-8,11H2,1-3H3