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

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 2-bromanylbenzoate Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 2-(4-methylthiazol-3-ium-5-yl)ethyl ester Formula: C13H13BrNO2S+ MolecularWeight: 327.21682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C13H12BrNO2S/c1-9-12(18-8-15-9)6-7-17-13(16)10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3/p+1