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

Systemtic Name: ethyl 5-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C29H28N4O3S2 MolecularWeight: 544.68762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC(=C(N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC(=C(N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C#N)C

InChI

InChI=1S/C29H28N4O3S2/c1-6-36-28(35)25-18(4)22(15-30)27(38-25)33-26(34)19(5)37-29-31-23(20-11-7-16(2)8-12-20)24(32-29)21-13-9-17(3)10-14-21/h7-14,19H,6H2,1-5H3,(H,31,32)(H,33,34)