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

Systemtic Name: 2-phenoxyethyl 2-(2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CCCCC(C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S/c1-2-3-11-17(23(29)31-15-14-30-16-9-5-4-6-10-16)20-21(27)25-24-26(22(20)28)18-12-7-8-13-19(18)32-24/h4-10,12-13,17,20-21,27H,2-3,11,14-15H2,1H3