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

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C16H14N2O5S2/c1-10-9-24-16-17-12(7-14(19)18(10)16)8-23-15(20)11-4-3-5-13(6-11)25(2,21)22/h3-7,9H,8H2,1-2H3