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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-methyl-2-(piperonyloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H23NO5S/c1-4-15-6-8-16(9-7-15)20-14(3)31-23(21(20)24(27)28-5-2)25-22(26)17-10-11-18-19(12-17)30-13-29-18/h6-12H,4-5,13H2,1-3H3,(H,25,26)