ethyl 5-bromanyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C19H18BrN3O3S2/c1-3-26-18(25)15-14(12-7-5-4-6-8-12)16(20)28-17(15)22-13(24)11-27-19-21-9-10-23(19)2/h4-10H,3,11H2,1-2H3,(H,22,24)