methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(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(=CC=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

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

InChI

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