2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c15-12(9-18-10-13(16)17)14-8-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17)