ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-oxo-1-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]pyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=NC3=C(S2)CCCC3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=NC3=C(S2)CCCC3)SC

InChI

InChI=1S/C17H20N4O4S2/c1-3-25-15(24)10-8-18-17(26-2)21(14(10)23)9-13(22)20-16-19-11-6-4-5-7-12(11)27-16/h8H,3-7,9H2,1-2H3,(H,19,20,22)