ethyl 4-[2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2,4,5-trimethylthiazol-3-ium-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2,4,5-trimethyl-3-thiazol-3-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,4,5-trimethylthiazol-3-ium-3-yl)acetyl]amino]benzoic acid ethyl ester Formula: C17H21N2O3S+ MolecularWeight: 333.42524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C(SC(=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C(SC(=C2C)C)C

InChI

InChI=1S/C17H20N2O3S/c1-5-22-17(21)14-6-8-15(9-7-14)18-16(20)10-19-11(2)12(3)23-13(19)4/h6-9H,5,10H2,1-4H3/p+1