methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-cyclohexylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-cyclohexylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-cyclohexylphenyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-cyclohexylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-cyclohexylphenyl)thiophene-3-carboxylate Traditional Name: 4-(4-cyclohexylphenyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C26H25NO5S MolecularWeight: 463.5454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25NO5S/c1-30-26(29)23-20(18-9-7-17(8-10-18)16-5-3-2-4-6-16)14-33-25(23)27-24(28)19-11-12-21-22(13-19)32-15-31-21/h7-14,16H,2-6,15H2,1H3,(H,27,28)