3-[3,5-dimethyl-2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3,5-dimethyl-2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3,5-dimethyl-2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3,5-dimethyl-2-[[3-(methylthio)anilino]-oxomethyl]phenyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3,5-dimethyl-2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3,5-dimethyl-2-[[3-(methylthio)phenyl]carbamoyl]phenyl]-2,2-dimethyl-propionic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)NC2=CC(=CC=C2)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)NC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C21H25NO3S/c1-13-9-14(2)18(15(10-13)12-21(3,4)20(24)25)19(23)22-16-7-6-8-17(11-16)26-5/h6-11H,12H2,1-5H3,(H,22,23)(H,24,25)