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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22Cl2N2O2S/c1-5-28-22(27)20-14(4)26(17-6-8-25-9-7-17)21(19(20)13(2)3)29-18-11-15(23)10-16(24)12-18/h6-13H,5H2,1-4H3