2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester Formula: C15H13Cl2NO3S MolecularWeight: 358.23962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCCSC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C15H13Cl2NO3S/c1-9(19)10-6-13(18-8-10)15(20)21-4-5-22-14-7-11(16)2-3-12(14)17/h2-3,6-8,18H,4-5H2,1H3