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

Systemtic Name: methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(valerylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-6-14-21(26)24-16-10-9-11-17(15-16)30-20(5-2)22(27)25-19-13-8-7-12-18(19)23(28)29-3/h7-13,15,20H,4-6,14H2,1-3H3,(H,24,26)(H,25,27)