3-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(4-carbamoylanilino)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SCCC(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SCCC(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-8(20-7-6-11(16)17)13(19)15-10-4-2-9(3-5-10)12(14)18/h2-5,8H,6-7H2,1H3,(H2,14,18)(H,15,19)(H,16,17)