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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H14N4O4S3 MolecularWeight: 434.51246

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C17H14N4O4S3/c1-28(24,25)10-2-3-12-13(8-10)27-17(19-12)20-14(22)4-6-21-9-18-15-11(16(21)23)5-7-26-15/h2-3,5,7-9H,4,6H2,1H3,(H,19,20,22)