2-[(4-ethylphenyl)-methanoyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-ethylphenyl)-methanoyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-(4-ethyl-N-formyl-anilino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(4-ethyl-N-formylanilino)-4-(methylthio)butanoic acid IUPAC Name: 2-(4-ethyl-N-formylanilino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(4-ethyl-N-formyl-anilino)-4-(methylthio)butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C=O)C(CCSC)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N(C=O)C(CCSC)C(=O)O

InChI

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