2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSCC(=O)O

InChI

InChI=1S/C12H15NO3S/c14-11(8-17-9-12(15)16)13-7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)