(2S)-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoic acid

Systemtic Name: (2S)-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoic acid Openeye Name: (2S)-2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylbutanoic acid CAS Name: (2S)-2-[[2-(4-ethylanilino)-2-oxoethyl]thio]butanoic acid IUPAC Name: (2S)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC(CC)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CS[C@@H](CC)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-3-10-5-7-11(8-6-10)15-13(16)9-19-12(4-2)14(17)18/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1