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

Systemtic Name: 4-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]butanoate Openeye Name: 4-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]butyrate Formula: C15H14BrN2O3S- MolecularWeight: 382.25226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=CS2)CC(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=CS2)CC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C15H15BrN2O3S/c16-11-4-1-3-10(7-11)15-18-12(9-22-15)8-13(19)17-6-2-5-14(20)21/h1,3-4,7,9H,2,5-6,8H2,(H,17,19)(H,20,21)/p-1