N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-oxidanylidene-5-(phenylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-oxidanylidene-5-(phenylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(5-besyl-6-keto-1H-pyrimidin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=C(C(=O)N3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=C(C(=O)N3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O6S2/c24-18(22-13-6-7-15-16(10-13)29-9-8-28-15)12-30-20-21-11-17(19(25)23-20)31(26,27)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,22,24)(H,21,23,25)