(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C20H22N3O6S2+ MolecularWeight: 464.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O6S2/c1-13-12-30-20-21-15(10-18(24)23(13)20)11-29-19(25)14-5-6-16(28-2)17(9-14)31(26,27)22-7-3-4-8-22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3/p+1