methyl 2,4-dimethyl-5-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-methylsulfanyl-3-nitro-benzoyl)oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[4-(methylthio)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-methylsulfanyl-3-nitrobenzoyl)oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(methylthio)-3-nitro-benzoyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-9-15(18(23)26-3)10(2)19-16(9)13(21)8-27-17(22)11-5-6-14(28-4)12(7-11)20(24)25/h5-7,19H,8H2,1-4H3