(4-oxidanylidene-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-oxidanylidene-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid (4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester IUPAC Name: (4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid (4-keto-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N3C(=O)C=C(N=C3S2)COC(=O)CCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC2=C(C1)N3C(=O)C=C(N=C3S2)COC(=O)CCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O4S/c22-14-7-5-13(6-8-14)17(25)9-10-20(27)28-12-15-11-19(26)24-16-3-1-2-4-18(16)29-21(24)23-15/h5-8,11H,1-4,9-10,12H2