methyl 4-[(2-azanylidene-1,3-thiazolidin-3-yl)methyl]benzoate bromide

Systemtic Name: methyl 4-[(2-azanylidene-1,3-thiazolidin-3-yl)methyl]benzoate bromide Openeye Name: methyl 4-[(2-iminothiazolidin-3-yl)methyl]benzoate bromide CAS Name: 4-[(2-imino-3-thiazolidinyl)methyl]benzoic acid methyl ester bromide IUPAC Name: methyl 4-[(2-imino-1,3-thiazolidin-3-yl)methyl]benzoate bromide Traditional Name: 4-[(2-iminothiazolidin-3-yl)methyl]benzoic acid methyl ester bromide Formula: C12H14BrN2O2S- MolecularWeight: 330.22076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCSC2=N.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCSC2=N.[Br-]

InChI

InChI=1S/C12H14N2O2S.BrH/c1-16-11(15)10-4-2-9(3-5-10)8-14-6-7-17-12(14)13;/h2-5,13H,6-8H2,1H3;1H/p-1