(2R)-2-azaniumyl-3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[[2-(2-methylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[2-(2-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-[[2-keto-2-(o-toluidino)ethyl]thio]propionate Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H16N2O3S/c1-8-4-2-3-5-10(8)14-11(15)7-18-6-9(13)12(16)17/h2-5,9H,6-7,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1