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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-phenylmethoxybenzoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic 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 3-phenylmethoxybenzoate Traditional Name: 3-benzoxybenzoic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C22H19N2O4S+ MolecularWeight: 407.46226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-15-14-29-22-23-18(11-20(25)24(15)22)13-28-21(26)17-8-5-9-19(10-17)27-12-16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3/p+1