methyl 2-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-phenyl-2-[[4-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C27H28N2O4S/c1-3-4-14-24(30)28-20-15-17-21(18-16-20)34-25(19-10-6-5-7-11-19)26(31)29-23-13-9-8-12-22(23)27(32)33-2/h5-13,15-18,25H,3-4,14H2,1-2H3,(H,28,30)(H,29,31)