ethyl 2,4-dimethyl-5-[2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[3-nitro-4-(p-tolylsulfanyl)benzoyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[3-nitro-4-(p-tolylthio)benzoyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H24N2O7S/c1-5-33-25(30)22-15(3)23(26-16(22)4)20(28)13-34-24(29)17-8-11-21(19(12-17)27(31)32)35-18-9-6-14(2)7-10-18/h6-12,26H,5,13H2,1-4H3