2-[2-[2-[(3-bromophenyl)methylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(3-bromophenyl)methylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[2-[(3-bromophenyl)methylamino]-2-oxo-ethyl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[2-[(3-bromobenzyl)amino]-2-keto-ethyl]thiazol-4-yl]acetic acid Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC(=O)CC2=NC(=CS2)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(=O)CC2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C14H13BrN2O3S/c15-10-3-1-2-9(4-10)7-16-12(18)6-13-17-11(8-21-13)5-14(19)20/h1-4,8H,5-7H2,(H,16,18)(H,19,20)