ethyl 2-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C12H12BrN3O3S MolecularWeight: 358.21098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H12BrN3O3S/c1-2-19-10(17)4-8-6-20-12(15-8)16-11(18)9-3-7(13)5-14-9/h3,5-6,14H,2,4H2,1H3,(H,15,16,18)