ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-cyclopropyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-cyclopropyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-5-(3,5-dichlorophenyl)sulfanyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 4-cyclopropyl-5-[(3,5-dichlorophenyl)thio]-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-5-(3,5-dichlorophenyl)sulfanyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-cyclopropyl-5-[(3,5-dichlorophenyl)thio]-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1C2CC2)SC3=CC(=CC(=C3)Cl)Cl)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1C2CC2)SC3=CC(=CC(=C3)Cl)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C22H20Cl2N2O2S/c1-2-28-22(27)19-13-26(12-14-5-7-25-8-6-14)21(20(19)15-3-4-15)29-18-10-16(23)9-17(24)11-18/h5-11,13,15H,2-4,12H2,1H3