methyl 4-[2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H13BrFN3O4S MolecularWeight: 454.270223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrFN3O4S/c1-25-16(24)12-4-9(6-20-12)13-8-27-17(21-13)22-15(23)7-26-14-3-2-10(18)5-11(14)19/h2-6,8,20H,7H2,1H3,(H,21,22,23)