ethyl 8-methylsulfanyl-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: ethyl 8-methylsulfanyl-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 8-methylsulfanyl-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 8-(methylthio)-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 8-methylsulfanyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 4-keto-8-(methylthio)pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C14H12N2O3S2 MolecularWeight: 320.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C14H12N2O3S2/c1-3-19-13(18)9-7-15-14-16(12(9)17)10-5-4-8(20-2)6-11(10)21-14/h4-7H,3H2,1-2H3