4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-methyl-amino]butanoate

Systemtic Name: 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-methyl-amino]butanoate Openeye Name: 4-[[4-(4-bromophenyl)thiazol-2-yl]-methyl-amino]butanoate CAS Name: 4-[[4-(4-bromophenyl)-2-thiazolyl]-methylamino]butanoate IUPAC Name: 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-methylamino]butanoate Traditional Name: 4-[[4-(4-bromophenyl)thiazol-2-yl]-methyl-amino]butyrate Formula: C14H14BrN2O2S- MolecularWeight: 354.24216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)[O-])C1=NC(=CS1)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CCCC(=O)[O-])C1=NC(=CS1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H15BrN2O2S/c1-17(8-2-3-13(18)19)14-16-12(9-20-14)10-4-6-11(15)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,18,19)/p-1