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

Systemtic Name: ethyl 2-(3-cyano-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-2-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(3-cyano-4-oxo-pyrimido[2,1-b][1,3]benzothiazol-2-yl)-3-oxo-butanoate CAS Name: 2-(3-cyano-4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)-3-oxobutanoate Traditional Name: 2-(3-cyano-4-keto-pyrimido[2,1-b][1,3]benzothiazol-2-yl)-3-keto-butyric acid ethyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=O)N2C3=CC=CC=C3SC2=N1)C#N)C(=O)C

Isomeric SMILES

CCOC(=O)C(C1=C(C(=O)N2C3=CC=CC=C3SC2=N1)C#N)C(=O)C

InChI

InChI=1S/C17H13N3O4S/c1-3-24-16(23)13(9(2)21)14-10(8-18)15(22)20-11-6-4-5-7-12(11)25-17(20)19-14/h4-7,13H,3H2,1-2H3