3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSCCC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-3-11-6-5-7-12(4-2)15(11)16-13(17)10-20-9-8-14(18)19/h5-7H,3-4,8-10H2,1-2H3,(H,16,17)(H,18,19)