methyl 2-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-3-4-9-19(24)22-15-10-12-16(13-11-15)28-14-20(25)23-18-8-6-5-7-17(18)21(26)27-2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,22,24)(H,23,25)