[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

InChI

InChI=1S/C25H26N2O5S/c1-2-3-4-5-24(29)27-20-10-6-18(7-11-20)23(28)15-32-25(30)19-8-12-22(13-9-19)31-14-21-16-33-17-26-21/h6-13,16-17H,2-5,14-15H2,1H3,(H,27,29)