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

Systemtic Name: ethyl 2-cyano-2-(3-cyano-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-2-yl)ethanoate Openeye Name: ethyl 2-cyano-2-(3-cyano-4-oxo-pyrimido[2,1-b][1,3]benzothiazol-2-yl)acetate CAS Name: 2-cyano-2-(3-cyano-4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(3-cyano-4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)acetate Traditional Name: 2-cyano-2-(3-cyano-4-keto-pyrimido[2,1-b][1,3]benzothiazol-2-yl)acetic acid ethyl ester Formula: C16H10N4O3S MolecularWeight: 338.3406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O3S/c1-2-23-15(22)10(8-18)13-9(7-17)14(21)20-11-5-3-4-6-12(11)24-16(20)19-13/h3-6,10H,2H2,1H3