3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylpropanoate Openeye Name: 3-[2-(benzylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]propanoate IUPAC Name: 3-[2-(benzylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(benzylamino)-2-keto-ethyl]thio]propionate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSCCC(=O)[O-]

InChI

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