4-[(3-acetyloxy-1,4-dioxan-2-yl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-acetyloxy-1,4-dioxan-2-yl)carbamothioylamino]benzoic acid Openeye Name: 4-[(3-acetoxy-1,4-dioxan-2-yl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(3-acetyloxy-1,4-dioxan-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-acetyloxy-1,4-dioxan-2-yl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-acetoxy-1,4-dioxan-2-yl)thiocarbamoylamino]benzoic acid Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OCCO1)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)OC1C(OCCO1)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H16N2O6S/c1-8(17)22-13-11(20-6-7-21-13)16-14(23)15-10-4-2-9(3-5-10)12(18)19/h2-5,11,13H,6-7H2,1H3,(H,18,19)(H2,15,16,23)