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

Systemtic Name: methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-(valerylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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