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

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(phenylmethylsulfanyl)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-(2-benzylsulfanylacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(phenylmethylthio)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-benzylsulfanylacetyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(benzylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO3S/c1-16-13-21(22(25)15-28-14-18-7-5-4-6-8-18)17(2)24(16)20-11-9-19(10-12-20)23(26)27-3/h4-13H,14-15H2,1-3H3