(2S)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanoic acid

Systemtic Name: (2S)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanoic acid Openeye Name: (2S)-2-(2-anilino-2-oxo-ethyl)sulfanylbutanoic acid CAS Name: (2S)-2-[(2-anilino-2-oxoethyl)thio]butanoic acid IUPAC Name: (2S)-2-(2-anilino-2-oxoethyl)sulfanylbutanoic acid Traditional Name: (2S)-2-[(2-anilino-2-keto-ethyl)thio]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC[C@@H](C(=O)O)SCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H15NO3S/c1-2-10(12(15)16)17-8-11(14)13-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1