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

Systemtic Name: ethyl 5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-[(3,5-dichlorophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-[(3,5-dichlorophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C23H24Cl2N2O2S MolecularWeight: 463.41986

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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)CC3=CC=NC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24Cl2N2O2S/c1-5-29-23(28)21-15(4)27(13-16-6-8-26-9-7-16)22(20(21)14(2)3)30-19-11-17(24)10-18(25)12-19/h6-12,14H,5,13H2,1-4H3