2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC(C)C(=O)O

InChI

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