S-[4-(trifluoromethyl)phenyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanethioate

Systemtic Name: S-[4-(trifluoromethyl)phenyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanethioate Openeye Name: S-[4-(trifluoromethyl)phenyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanethioate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanethioic acid S-[4-(trifluoromethyl)phenyl] ester IUPAC Name: S-[4-(trifluoromethyl)phenyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanethioate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propanethioic acid S-[4-(trifluoromethyl)phenyl] ester Formula: C17H12F3NO3S MolecularWeight: 367.34229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)SC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)SC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3NO3S/c18-17(19,20)11-5-7-12(8-6-11)25-15(22)9-10-21-13-3-1-2-4-14(13)24-16(21)23/h1-8H,9-10H2