ethyl (4Z)-4-(1,3-benzothiazol-2-ylimino)-2-methylsulfanyl-5H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4Z)-4-(1,3-benzothiazol-2-ylimino)-2-methylsulfanyl-5H-pyrimidine-5-carboxylate Openeye Name: ethyl (4Z)-4-(1,3-benzothiazol-2-ylimino)-2-methylsulfanyl-5H-pyrimidine-5-carboxylate CAS Name: (4Z)-4-(1,3-benzothiazol-2-ylimino)-2-(methylthio)-5H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-4-(1,3-benzothiazol-2-ylimino)-2-methylsulfanyl-5H-pyrimidine-5-carboxylate Traditional Name: (4Z)-4-(1,3-benzothiazol-2-ylimino)-2-(methylthio)-5H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=NC(=NC1=NC2=NC3=CC=CC=C3S2)SC

Isomeric SMILES

CCOC(=O)C\1C=NC(=N/C1=N\C2=NC3=CC=CC=C3S2)SC

InChI

InChI=1S/C15H14N4O2S2/c1-3-21-13(20)9-8-16-14(22-2)18-12(9)19-15-17-10-6-4-5-7-11(10)23-15/h4-9H,3H2,1-2H3/b19-12-