ethyl 4-azanyl-2-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(1,3-benzothiazol-2-ylmethoxy)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N4O4S2/c1-2-24-16(23)10-7-19-17(21-15(10)18)26-9-14(22)25-8-13-20-11-5-3-4-6-12(11)27-13/h3-7H,2,8-9H2,1H3,(H2,18,19,21)