5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C16H15ClN4O4S2 MolecularWeight: 426.8977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

InChI

InChI=1S/C16H15ClN4O4S2/c1-3-25-9-5-6-11-12(7-9)26-15(19-11)21-14(22)13-10(17)8-18-16(20-13)27(23,24)4-2/h5-8H,3-4H2,1-2H3,(H,19,21,22)