5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 2-hydroxy-5-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-hydroxy-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 2-hydroxy-5-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C17H15N2O5S- MolecularWeight: 359.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-10-3-2-4-12(7-10)24-9-15(21)19-17(25)18-11-5-6-14(20)13(8-11)16(22)23/h2-8,20H,9H2,1H3,(H,22,23)(H2,18,19,21,25)/p-1