(2-acetamido-1,3-thiazol-4-yl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate CAS Name: 5-[3-(trifluoromethyl)phenyl]-2-furancarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Traditional Name: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C18H13F3N2O4S MolecularWeight: 410.36703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O4S/c1-10(24)22-17-23-13(9-28-17)8-26-16(25)15-6-5-14(27-15)11-3-2-4-12(7-11)18(19,20)21/h2-7,9H,8H2,1H3,(H,22,23,24)