2-[butanoyl-(2,6-dimethylphenyl)amino]-4-tert-butylsulfanyl-butanoic acid

Systemtic Name: 2-[butanoyl-(2,6-dimethylphenyl)amino]-4-tert-butylsulfanyl-butanoic acid Openeye Name: 2-(N-butanoyl-2,6-dimethyl-anilino)-4-tert-butylsulfanyl-butanoic acid CAS Name: 4-(tert-butylthio)-2-[2,6-dimethyl-N-(1-oxobutyl)anilino]butanoic acid IUPAC Name: 2-(N-butanoyl-2,6-dimethylanilino)-4-tert-butylsulfanylbutanoic acid Traditional Name: 4-(tert-butylthio)-2-(N-butyryl-2,6-dimethyl-anilino)butyric acid Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=C(C=CC=C1C)C)C(CCSC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC(=O)N(C1=C(C=CC=C1C)C)C(CCSC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H31NO3S/c1-7-9-17(22)21(18-14(2)10-8-11-15(18)3)16(19(23)24)12-13-25-20(4,5)6/h8,10-11,16H,7,9,12-13H2,1-6H3,(H,23,24)