2-[2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]thiazol-4-yl]acetic acid Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNC2=NC(=CS2)CC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNC2=NC(=CS2)CC(=O)O)OC

InChI

InChI=1S/C15H17BrN2O4S/c1-3-22-14-11(16)4-9(5-12(14)21-2)7-17-15-18-10(8-23-15)6-13(19)20/h4-5,8H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)