methyl 4-[3-[2-(4-bromophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(4-bromophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(4-bromophenyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(4-bromophenyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(4-bromophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(4-bromophenyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C22H20BrNO3S MolecularWeight: 458.3681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrNO3S/c1-14-12-20(21(25)13-28-19-10-6-17(23)7-11-19)15(2)24(14)18-8-4-16(5-9-18)22(26)27-3/h4-12H,13H2,1-3H3