ethyl 4-cyano-5-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H24N4O3S2 MolecularWeight: 516.63446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C27H24N4O3S2/c1-3-34-26(33)24-17(2)20(16-28)25(36-24)29-21(32)14-15-35-27-30-22(18-10-6-4-7-11-18)23(31-27)19-12-8-5-9-13-19/h4-13H,3,14-15H2,1-2H3,(H,29,32)(H,30,31)