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

Systemtic Name: ethyl 5-[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(4-acetamidophenyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(4-acetamidophenyl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C20H24N2O4S/c1-6-26-20(25)17-11(2)18(21-12(17)3)19(24)13(4)27-16-9-7-15(8-10-16)22-14(5)23/h7-10,13,21H,6H2,1-5H3,(H,22,23)/t13-/m0/s1