2-[[4-(ethoxymethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(ethoxymethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(ethoxymethyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(ethoxymethyl)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(ethoxymethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(ethoxymethyl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-3-26-14-15-9-10-17(18(13-15)16-7-5-4-6-8-16)20(23)22-19(21(24)25)11-12-27-2/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,22,23)(H,24,25)