1,3-thiazol-2-yl 4-[3,4-bis(trifluoromethyl)phenyl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: 1,3-thiazol-2-yl 4-[3,4-bis(trifluoromethyl)phenyl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: thiazol-2-yl 4-[3,4-bis(trifluoromethyl)phenyl]-3-methyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[3,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid 2-thiazolyl ester IUPAC Name: 1,3-thiazol-2-yl 4-[3,4-bis(trifluoromethyl)phenyl]-3-methyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[3,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(methylthio)thiophene-2-carboxylic acid thiazol-2-yl ester Formula: C18H11F6NO2S3 MolecularWeight: 483.470859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)SC)C(=O)OC3=NC=CS3

Isomeric SMILES

CC1=C(SC(=C1C2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)SC)C(=O)OC3=NC=CS3

InChI

InChI=1S/C18H11F6NO2S3/c1-8-12(9-3-4-10(17(19,20)21)11(7-9)18(22,23)24)15(28-2)30-13(8)14(26)27-16-25-5-6-29-16/h3-7H,1-2H3