N-(4-methylphenyl)sulfonyl-2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-(p-tolylsulfonyl)acetamide CAS Name: N-(4-methylphenyl)sulfonyl-2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(4-methylphenyl)sulfonyl-2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]-N-tosyl-acetamide Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S2/c1-13-5-7-16(8-6-13)33(30,31)23-18(26)10-24-12-22-20-19(21(24)27)17(11-32-20)14-3-2-4-15(9-14)25(28)29/h2-9,11-12H,10H2,1H3,(H,23,26)