3-[[2-(ethanoylsulfanylmethyl)-5-phenyl-pentanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-5-phenyl-pentanoyl]amino]benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-5-phenyl-pentanoyl]amino]benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-5-phenylpentyl]amino]benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-5-phenylpentanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-5-phenyl-pentanoyl]amino]benzoic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CCCC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-15(23)27-14-18(11-5-9-16-7-3-2-4-8-16)20(24)22-19-12-6-10-17(13-19)21(25)26/h2-4,6-8,10,12-13,18H,5,9,11,14H2,1H3,(H,22,24)(H,25,26)