3-[2-[5-(2-phenoxyethanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate

Systemtic Name: 3-[2-[5-(2-phenoxyethanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate Openeye Name: 3-[2-[5-[(2-phenoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate CAS Name: 3-[2-[5-[(1-oxo-2-phenoxyethyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate IUPAC Name: 3-[2-[5-[(2-phenoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate Traditional Name: 3-[2-[5-[(2-phenoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate Formula: C23H16N3O4S- MolecularWeight: 430.45584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)C3=CC=CC=C3C4=CC(=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)C3=CC=CC=C3C4=CC(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H17N3O4S/c27-20(14-30-17-9-2-1-3-10-17)24-23-26-25-21(31-23)19-12-5-4-11-18(19)15-7-6-8-16(13-15)22(28)29/h1-13H,14H2,(H,28,29)(H,24,26,27)/p-1