(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H17N3O6S2/c22-17-16-14(4-9-28-16)19-15(20-17)11-27-18(23)12-2-1-3-13(10-12)29(24,25)21-5-7-26-8-6-21/h1-4,9-10H,5-8,11H2,(H,19,20,22)