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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-diethoxyphenyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,4-diethoxybenzoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(3,4-diethoxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,4-diethoxybenzoyl)oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-diethoxybenzoyl)oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H31NO9S MolecularWeight: 569.62274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OCC)OCC

InChI

InChI=1S/C29H31NO9S/c1-5-34-21-11-9-19(14-24(21)35-6-2)28(32)37-15-25(31)30-27-26(29(33)36-7-3)20(17(4)40-27)12-18-8-10-22-23(13-18)39-16-38-22/h8-11,13-14H,5-7,12,15-16H2,1-4H3,(H,30,31)