ethyl 5-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3,4-dimethylphenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3,4-dimethylphenyl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3,4-dimethylphenyl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C19H23NO3S/c1-6-23-19(22)17-13(4)18(20-14(17)5)16(21)10-24-15-8-7-11(2)12(3)9-15/h7-9,20H,6,10H2,1-5H3