methyl 3-[2,5-dimethyl-3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[2,5-dimethyl-3-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]pyrrol-1-yl]propionic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-15-12-20(18-8-6-5-7-9-18)25-23(24-15)30-14-21(27)19-13-16(2)26(17(19)3)11-10-22(28)29-4/h5-9,12-13H,10-11,14H2,1-4H3