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

Systemtic Name: methyl 4,5-dimethyl-2-[2-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(5-nitro-2-pyrrolidin-1-yl-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(5-nitro-2-pyrrolidin-1-ylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(5-nitro-2-pyrrolidino-benzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C

InChI

InChI=1S/C21H23N3O7S/c1-12-13(2)32-19(18(12)21(27)30-3)22-17(25)11-31-20(26)15-10-14(24(28)29)6-7-16(15)23-8-4-5-9-23/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,22,25)