ethyl 4-(4-bromophenyl)-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(methylthio)nicotinoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H17BrN2O3S2/c1-3-26-20(25)16-15(12-6-8-13(21)9-7-12)11-28-19(16)23-17(24)14-5-4-10-22-18(14)27-2/h4-11H,3H2,1-2H3,(H,23,24)