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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-4-28-22(27)21(14(2)3)16-10-11-17-19(12-16)29-23-24-20(26)13-18(25(17)23)15-8-6-5-7-9-15/h5-14,21H,4H2,1-3H3