ethyl 2,5-dimethyl-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H23N3O3S/c1-5-28-21(27)20-15(4)24-14(3)19(20)18(26)12-29-22-23-13(2)11-17(25-22)16-9-7-6-8-10-16/h6-11,24H,5,12H2,1-4H3