diethyl 5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C18H18ClF3N2O4S MolecularWeight: 450.85973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N2O4S/c1-4-27-16(25)13-9(3)14(17(26)28-5-2)24-12(13)8-29-15-11(19)6-10(7-23-15)18(20,21)22/h6-7,24H,4-5,8H2,1-3H3