2-[[4-(2-propan-2-ylsulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(2-propan-2-ylsulfanylethanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-isopropylsulfanylacetyl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[4-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[4-[(2-propan-2-ylsulfanylacetyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-(isopropylthio)acetyl]amino]benzoyl]amino]acetic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)SCC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-9(2)21-8-12(17)16-11-5-3-10(4-6-11)14(20)15-7-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)