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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[2-(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-[3-nitro-4-(1-piperidyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-[[3-nitro-4-(1-piperidinyl)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-piperidin-1-ylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(3-nitro-4-piperidino-benzoyl)oxyacetyl]amino]-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C29H29N3O9S MolecularWeight: 595.62026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[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)N3CCCCC3)[N+](=O)[O-])C(=O)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H29N3O9S/c1-17-20(12-18-6-9-23-24(13-18)41-16-40-23)26(29(35)38-2)27(42-17)30-25(33)15-39-28(34)19-7-8-21(22(14-19)32(36)37)31-10-4-3-5-11-31/h6-9,13-14H,3-5,10-12,15-16H2,1-2H3,(H,30,33)