ethyl (4R)-3-(benzotriazol-1-ylmethyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: ethyl (4R)-3-(benzotriazol-1-ylmethyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: ethyl (4R)-3-(benzotriazol-1-ylmethyl)thiazolidin-3-ium-4-carboxylate CAS Name: (4R)-3-(1-benzotriazolylmethyl)-4-thiazolidin-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (4R)-3-(benzotriazol-1-ylmethyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (4R)-3-(benzotriazol-1-ylmethyl)thiazolidin-3-ium-4-carboxylic acid ethyl ester Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSC[NH+]1CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)[C@@H]1CSC[NH+]1CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H16N4O2S/c1-2-19-13(18)12-7-20-9-16(12)8-17-11-6-4-3-5-10(11)14-15-17/h3-6,12H,2,7-9H2,1H3/p+1/t12-/m0/s1