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

Systemtic Name: 2-[2-oxidanylidene-2-(2-phenylpropylamino)ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-(2-phenylpropylamino)ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-(2-phenylpropylamino)ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(2-phenylpropylamino)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(2-phenylpropylamino)ethyl]thio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSCC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(CNC(=O)CSCC(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-10(11-5-3-2-4-6-11)7-14-12(15)8-18-9-13(16)17/h2-6,10H,7-9H2,1H3,(H,14,15)(H,16,17)