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

Systemtic Name: methyl 4-[3-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(2,5-dimethylphenyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2,5-dimethylphenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(2,5-dimethylphenyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C24H25NO3S/c1-15-6-7-16(2)23(12-15)29-14-22(26)21-13-17(3)25(18(21)4)20-10-8-19(9-11-20)24(27)28-5/h6-13H,14H2,1-5H3