2-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 2-chloro-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzoic acid CAS Name: 2-chloro-5-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzoic acid Traditional Name: 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)benzoic acid Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H13ClN2O5S/c18-12-3-2-10(8-11(12)16(22)23)19-17(26)20-15(21)9-1-4-13-14(7-9)25-6-5-24-13/h1-4,7-8H,5-6H2,(H,22,23)(H2,19,20,21,26)