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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[2-(5-nitrothiophen-2-yl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(5-nitrothiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-[(5-nitro-2-thiophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(5-nitrothiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-(5-nitrothiophene-2-carbonyl)oxyacetyl]amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20N2O9S2 MolecularWeight: 532.5429

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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)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O9S2/c1-3-31-23(28)20-12(2)17(9-13-4-5-14-15(8-13)34-11-33-14)36-21(20)24-18(26)10-32-22(27)16-6-7-19(35-16)25(29)30/h4-8H,3,9-11H2,1-2H3,(H,24,26)