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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-4-methoxy-benzoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-4-methoxy-benzoic acid CAS Name: 3-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-4-methoxybenzoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-4-methoxy-benzoic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H16N2O6S/c1-24-13-4-3-11(17(22)23)8-12(13)19-18(27)20-16(21)10-2-5-14-15(9-10)26-7-6-25-14/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,19,20,21,27)