2-azanyl-3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSCC(C(=O)O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSCC(C(=O)O)N)C

InChI

InChI=1S/C14H20N2O3S/c1-3-10-6-4-5-9(2)13(10)16-12(17)8-20-7-11(15)14(18)19/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,17)(H,18,19)