(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

InChI

InChI=1S/C18H17N3O5S2/c22-16-11-14(19-18-21(16)9-10-27-18)12-26-17(23)13-3-5-15(6-4-13)28(24,25)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8,12H2