methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 4-(4-cyclohexylphenyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyclohexylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-cyclohexylphenyl)-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3S/c1-31-27(30)25-23(22-15-13-21(14-16-22)20-10-6-3-7-11-20)18-32-26(25)28-24(29)17-12-19-8-4-2-5-9-19/h2,4-5,8-9,13-16,18,20H,3,6-7,10-11H2,1H3,(H,28,29)