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

Systemtic Name: diethyl 2-(3-cyano-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-2-yl)propanedioate Openeye Name: diethyl 2-(3-cyano-4-oxo-pyrimido[2,1-b][1,3]benzothiazol-2-yl)propanedioate CAS Name: 2-(3-cyano-4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-cyano-4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)propanedioate Traditional Name: 2-(3-cyano-4-keto-pyrimido[2,1-b][1,3]benzothiazol-2-yl)malonic acid diethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-3-25-16(23)13(17(24)26-4-2)14-10(9-19)15(22)21-11-7-5-6-8-12(11)27-18(21)20-14/h5-8,13H,3-4H2,1-2H3