(2S)-2-[(3,4-dimethylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3,4-dimethylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-(methylthio)butyrate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C14H19NO3S/c1-9-4-5-11(8-10(9)2)13(16)15-12(14(17)18)6-7-19-3/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1