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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[2-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-(3-nitro-4-pyrrolidin-1-yl-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-(3-nitro-4-pyrrolidin-1-ylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(3-nitro-4-pyrrolidino-benzoyl)oxyacetyl]amino]-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C28H27N3O9S MolecularWeight: 581.59368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H27N3O9S/c1-16-19(11-17-5-8-22-23(12-17)40-15-39-22)25(28(34)37-2)26(41-16)29-24(32)14-38-27(33)18-6-7-20(21(13-18)31(35)36)30-9-3-4-10-30/h5-8,12-13H,3-4,9-11,14-15H2,1-2H3,(H,29,32)