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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-2-methyl-benzoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-2-methyl-benzoic acid CAS Name: 3-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-2-methylbenzoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-2-methyl-benzoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)O

InChI

InChI=1S/C18H16N2O5S/c1-10-12(17(22)23)3-2-4-13(10)19-18(26)20-16(21)11-5-6-14-15(9-11)25-8-7-24-14/h2-6,9H,7-8H2,1H3,(H,22,23)(H2,19,20,21,26)