2-[[2-(dimethylcarbamoyl)phenyl]sulfanylmethyl]-4-phenyl-pentanoic acid

Systemtic Name: 2-[[2-(dimethylcarbamoyl)phenyl]sulfanylmethyl]-4-phenyl-pentanoic acid Openeye Name: 2-[[2-(dimethylcarbamoyl)phenyl]sulfanylmethyl]-4-phenyl-pentanoic acid CAS Name: 2-[[[2-[dimethylamino(oxo)methyl]phenyl]thio]methyl]-4-phenylpentanoic acid IUPAC Name: 2-[[2-(dimethylcarbamoyl)phenyl]sulfanylmethyl]-4-phenylpentanoic acid Traditional Name: 2-[[[2-(dimethylcarbamoyl)phenyl]thio]methyl]-4-phenyl-valeric acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CSC1=CC=CC=C1C(=O)N(C)C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(CSC1=CC=CC=C1C(=O)N(C)C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-15(16-9-5-4-6-10-16)13-17(21(24)25)14-26-19-12-8-7-11-18(19)20(23)22(2)3/h4-12,15,17H,13-14H2,1-3H3,(H,24,25)