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

Systemtic Name: ethyl 4-[2-(4-acetamidophenyl)sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(4-acetamidophenyl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(4-acetamidophenyl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-5-25-19(24)18-12(3)20-11(2)17(18)16(23)10-26-15-8-6-14(7-9-15)21-13(4)22/h6-9,20H,5,10H2,1-4H3,(H,21,22)