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

Systemtic Name: ethyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-3-26-20(25)13(2)15-9-10-16-18(11-15)27-21-22-19(24)12-17(23(16)21)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3