2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]acetate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSCC(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSCC(=O)[O-])C

InChI

InChI=1S/C13H17NO3S/c1-3-10-6-4-5-9(2)13(10)14-11(15)7-18-8-12(16)17/h4-6H,3,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1