ethyl 4-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-(valerylamino)phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H28N2O4S/c1-4-6-7-21(26)24-18-12-14-20(15-13-18)30-16(3)22(27)25-19-10-8-17(9-11-19)23(28)29-5-2/h8-16H,4-7H2,1-3H3,(H,24,26)(H,25,27)