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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic 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 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C15H12N2O5S2 MolecularWeight: 364.39618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2

InChI

InChI=1S/C15H12N2O5S2/c1-24(20,21)12-4-2-3-10(7-12)14(19)22-9-11-8-13(18)17-5-6-23-15(17)16-11/h2-8H,9H2,1H3