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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[2-(2-methyl-3-nitro-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-(2-methyl-3-nitro-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-[(2-methyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-(2-methyl-3-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(2-methyl-3-nitro-benzoyl)oxyacetyl]amino]-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C25H22N2O9S MolecularWeight: 526.51518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C(=C(S2)C)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C25H22N2O9S/c1-13-16(5-4-6-18(13)27(31)32)24(29)34-11-21(28)26-23-22(25(30)33-3)17(14(2)37-23)9-15-7-8-19-20(10-15)36-12-35-19/h4-8,10H,9,11-12H2,1-3H3,(H,26,28)