2-[2-[2-cyanoethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[2-cyanoethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[benzyl(2-cyanoethyl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[2-cyanoethyl-(phenylmethyl)amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[benzyl(2-cyanoethyl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[benzyl(2-cyanoethyl)amino]-2-keto-ethyl]thio]acetate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C14H16N2O3S/c15-7-4-8-16(9-12-5-2-1-3-6-12)13(17)10-20-11-14(18)19/h1-3,5-6H,4,8-11H2,(H,18,19)/p-1