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

Systemtic Name: ethyl 2-(2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-3-5-8-11(17(23)24-4-2)14-15(21)19-18-20(16(14)22)12-9-6-7-10-13(12)25-18/h6-7,9-11,14-15,21H,3-5,8H2,1-2H3