ethyl 2-[2-(2-benzamidoethanoyloxy)ethanoylamino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-benzamidoethanoyloxy)ethanoylamino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-benzamido-1-oxoethoxy)-1-oxoethyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-hippuroyloxyacetyl)amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O8S MolecularWeight: 538.56894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O8S/c1-3-34-27(33)24-19(11-17-9-10-20-21(12-17)37-15-36-20)16(2)38-26(24)29-22(30)14-35-23(31)13-28-25(32)18-7-5-4-6-8-18/h4-10,12H,3,11,13-15H2,1-2H3,(H,28,32)(H,29,30)