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

Systemtic Name: butyl 2-(2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-3-5-9-13(19(25)26-12-6-4-2)16-17(23)21-20-22(18(16)24)14-10-7-8-11-15(14)27-20/h7-8,10-11,13,16-17,23H,3-6,9,12H2,1-2H3