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

Systemtic Name: ethyl 2-methyl-2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)butanoate Openeye Name: ethyl 2-methyl-2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)butanoate CAS Name: 2-methyl-2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)butanoate Traditional Name: 2-(2-keto-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)-2-methyl-butyric acid ethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-4-23(3,21(27)28-5-2)16-11-12-17-19(13-16)29-22-24-20(26)14-18(25(17)22)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3