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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-bromophenyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-bromobenzoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(2-bromophenyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-bromobenzoyl)oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromobenzoyl)oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H22BrNO7S MolecularWeight: 560.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C25H22BrNO7S/c1-3-31-25(30)22-17(10-15-8-9-19-20(11-15)34-13-33-19)14(2)35-23(22)27-21(28)12-32-24(29)16-6-4-5-7-18(16)26/h4-9,11H,3,10,12-13H2,1-2H3,(H,27,28)