methyl 2,5-dimethyl-4-[2-(4-nitrophenyl)sulfanylphenyl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[2-(4-nitrophenyl)sulfanylphenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-[2-(4-nitrophenyl)sulfanylbenzoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[2-[(4-nitrophenyl)thio]phenyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[2-(4-nitrophenyl)sulfanylbenzoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(4-nitrophenyl)thio]benzoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-12-18(19(13(2)22-12)21(25)28-3)20(24)16-6-4-5-7-17(16)29-15-10-8-14(9-11-15)23(26)27/h4-11,22H,1-3H3