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

Systemtic Name: ethyl 2-methyl-2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)hexanoate Openeye Name: ethyl 2-methyl-2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)hexanoate CAS Name: 2-methyl-2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-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)-2-methyl-hexanoic acid ethyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-4-6-14-25(3,23(29)30-5-2)18-12-13-19-21(15-18)31-24-26-22(28)16-20(27(19)24)17-10-8-7-9-11-17/h7-13,15-16H,4-6,14H2,1-3H3