2-(4-chlorophenyl)sulfanylethyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO3S/c1-10-15(12(3)20)11(2)19-16(10)17(21)22-8-9-23-14-6-4-13(18)5-7-14/h4-7,19H,8-9H2,1-3H3