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

Systemtic Name: ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-[(3,5-dichlorophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-[(3,5-dichlorophenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H22Cl2N2O2S MolecularWeight: 449.39328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1C(C)C)SC2=CC(=CC(=C2)Cl)Cl)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1C(C)C)SC2=CC(=CC(=C2)Cl)Cl)CC3=CC=NC=C3

InChI

InChI=1S/C22H22Cl2N2O2S/c1-4-28-22(27)19-13-26(12-15-5-7-25-8-6-15)21(20(19)14(2)3)29-18-10-16(23)9-17(24)11-18/h5-11,13-14H,4,12H2,1-3H3