(2S)-2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]propionate Formula: C13H16NO3S- MolecularWeight: 266.33604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC(C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CS[C@@H](C)C(=O)[O-])C

InChI

InChI=1S/C13H17NO3S/c1-8-4-5-11(6-9(8)2)14-12(15)7-18-10(3)13(16)17/h4-6,10H,7H2,1-3H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1