(3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic 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 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C16H13N3O7S2 MolecularWeight: 423.42032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7S2/c1-9-8-27-16-17-11(6-14(20)18(9)16)7-26-15(21)10-3-4-13(28(2,24)25)12(5-10)19(22)23/h3-6,8H,7H2,1-2H3