N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C16H12N4O4S3 MolecularWeight: 420.48588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C16H12N4O4S3/c1-27(23,24)9-2-3-11-12(6-9)26-16(18-11)19-13(21)7-20-8-17-14-10(15(20)22)4-5-25-14/h2-6,8H,7H2,1H3,(H,18,19,21)