ethyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)hexanoate

Systemtic Name: ethyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)hexanoate Openeye Name: ethyl 2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)hexanoate CAS Name: 2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)hexanoate Traditional Name: 2-(2-keto-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)hexanoic acid ethyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCC(C1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C24H24N2O3S/c1-3-5-11-18(23(28)29-4-2)17-12-13-19-21(14-17)30-24-25-22(27)15-20(26(19)24)16-9-7-6-8-10-16/h6-10,12-15,18H,3-5,11H2,1-2H3