2-[(4-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-butylbenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-butylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-butylbenzoyl)amino]-4-(methylthio)butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-3-4-5-12-6-8-13(9-7-12)15(18)17-14(16(19)20)10-11-21-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,18)(H,19,20)