2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-propan-2-yl-benzoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-propan-2-yl-benzoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-isopropyl-benzoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-5-propan-2-ylbenzoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-5-propan-2-ylbenzoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-5-isopropyl-benzoic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-14(2)17-9-10-20(19(12-17)22(26)27)23-21(25)18(13-28-15(3)24)11-16-7-5-4-6-8-16/h4-10,12,14,18H,11,13H2,1-3H3,(H,23,25)(H,26,27)