ethyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-3-5-9-20(25)24-18-7-6-8-19(14-18)29-15-21(26)23-17-12-10-16(11-13-17)22(27)28-4-2/h6-8,10-14H,3-5,9,15H2,1-2H3,(H,23,26)(H,24,25)