2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester Formula: C21H19N2O5S+ MolecularWeight: 411.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N2O5S/c1-15-20(29-14-22(15)13-19(24)16-5-3-2-4-6-16)11-12-28-21(25)17-7-9-18(10-8-17)23(26)27/h2-10,14H,11-13H2,1H3/q+1