3-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]propionate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSCCC(=O)[O-])C

InChI

InChI=1S/C13H17NO3S/c1-9-5-10(2)7-11(6-9)14-12(15)8-18-4-3-13(16)17/h5-7H,3-4,8H2,1-2H3,(H,14,15)(H,16,17)/p-1