2-[(2-ethanoylsulfanyl-2-methyl-3-phenyl-propanoyl)amino]-5-ethyl-benzoic acid

Systemtic Name: 2-[(2-ethanoylsulfanyl-2-methyl-3-phenyl-propanoyl)amino]-5-ethyl-benzoic acid Openeye Name: 2-[(2-acetylsulfanyl-2-methyl-3-phenyl-propanoyl)amino]-5-ethyl-benzoic acid CAS Name: 2-[[2-(acetylthio)-2-methyl-1-oxo-3-phenylpropyl]amino]-5-ethylbenzoic acid IUPAC Name: 2-[(2-acetylsulfanyl-2-methyl-3-phenylpropanoyl)amino]-5-ethylbenzoic acid Traditional Name: 2-[[2-(acetylthio)-2-methyl-3-phenyl-propanoyl]amino]-5-ethyl-benzoic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC(=O)C(C)(CC2=CC=CC=C2)SC(=O)C)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NC(=O)C(C)(CC2=CC=CC=C2)SC(=O)C)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-4-15-10-11-18(17(12-15)19(24)25)22-20(26)21(3,27-14(2)23)13-16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,22,26)(H,24,25)