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

Systemtic Name: ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-cyclohexyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-cyclohexyl-5-(3,5-dichlorophenyl)sulfanyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 4-cyclohexyl-5-[(3,5-dichlorophenyl)thio]-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclohexyl-5-(3,5-dichlorophenyl)sulfanyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-cyclohexyl-5-[(3,5-dichlorophenyl)thio]-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C25H26Cl2N2O2S MolecularWeight: 489.45714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1C2CCCCC2)SC3=CC(=CC(=C3)Cl)Cl)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1C2CCCCC2)SC3=CC(=CC(=C3)Cl)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C25H26Cl2N2O2S/c1-2-31-25(30)22-16-29(15-17-8-10-28-11-9-17)24(23(22)18-6-4-3-5-7-18)32-21-13-19(26)12-20(27)14-21/h8-14,16,18H,2-7,15H2,1H3