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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoyloxy]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[2-[(3,4-dimethoxybenzoyl)amino]acetyl]oxyacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[2-[(3,4-dimethoxybenzoyl)amino]acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-[[2-[2-(veratroylamino)acetyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C29H30N2O10S MolecularWeight: 598.6209

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)CNC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)CNC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H30N2O10S/c1-5-38-29(35)26-16(2)23(11-17-6-8-20-22(10-17)41-15-40-20)42-28(26)31-24(32)14-39-25(33)13-30-27(34)18-7-9-19(36-3)21(12-18)37-4/h6-10,12H,5,11,13-15H2,1-4H3,(H,30,34)(H,31,32)