tert-butyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate

Systemtic Name: tert-butyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate Openeye Name: tert-butyl 2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate CAS Name: 2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate Traditional Name: 2-(2-keto-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propionic acid tert-butyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-14(21(27)28-23(2,3)4)16-10-11-17-19(12-16)29-22-24-20(26)13-18(25(17)22)15-8-6-5-7-9-15/h5-14H,1-4H3