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

Systemtic Name: ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-cyclobutyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-cyclobutyl-5-(3,5-dichlorophenyl)sulfanyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 4-cyclobutyl-5-[(3,5-dichlorophenyl)thio]-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclobutyl-5-(3,5-dichlorophenyl)sulfanyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-cyclobutyl-5-[(3,5-dichlorophenyl)thio]-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C23H22Cl2N2O2S MolecularWeight: 461.40398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1C2CCC2)SC3=CC(=CC(=C3)Cl)Cl)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1C2CCC2)SC3=CC(=CC(=C3)Cl)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C23H22Cl2N2O2S/c1-2-29-23(28)20-14-27(13-15-6-8-26-9-7-15)22(21(20)16-4-3-5-16)30-19-11-17(24)10-18(25)12-19/h6-12,14,16H,2-5,13H2,1H3