4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylcarbonylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylcarbonylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 2-(benzoylcarbamoylamino)-4-(2,3-dihydro-1,4-benzodioxin-3-yl)thiophene-3-carboxylic acid CAS Name: 2-[[benzamido(oxo)methyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-thiophenecarboxylic acid IUPAC Name: 2-(benzoylcarbamoylamino)-4-(2,3-dihydro-1,4-benzodioxin-3-yl)thiophene-3-carboxylic acid Traditional Name: 2-(benzoylcarbamoylamino)-4-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-thenoic acid Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=CSC(=C3C(=O)O)NC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=CSC(=C3C(=O)O)NC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O6S/c24-18(12-6-2-1-3-7-12)22-21(27)23-19-17(20(25)26)13(11-30-19)16-10-28-14-8-4-5-9-15(14)29-16/h1-9,11,16H,10H2,(H,25,26)(H2,22,23,24,27)