ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-propan-2-yl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-propan-2-yl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(3,5-dichlorophenyl)thio]-4-propan-2-yl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3,5-dichlorophenyl)thio]-4-isopropyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H17Cl2NO2S MolecularWeight: 358.28268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C(C)C)SC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C(C)C)SC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO2S/c1-4-21-16(20)13-8-19-15(14(13)9(2)3)22-12-6-10(17)5-11(18)7-12/h5-9,19H,4H2,1-3H3