2-[(2,5-dimethylphenyl)-methanoyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)-methanoyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(N-formyl-2,5-dimethyl-anilino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(N-formyl-2,5-dimethylanilino)-4-(methylthio)butanoic acid IUPAC Name: 2-(N-formyl-2,5-dimethylanilino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(N-formyl-2,5-dimethyl-anilino)-4-(methylthio)butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C=O)C(CCSC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C=O)C(CCSC)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10-4-5-11(2)13(8-10)15(9-16)12(14(17)18)6-7-19-3/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,18)