propan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19N3O5S2/c1-11(2)29-19(26)13-3-5-14-17(10-13)31-21(22-14)24-20(30)23-18(25)12-4-6-15-16(9-12)28-8-7-27-15/h3-6,9-11H,7-8H2,1-2H3,(H2,22,23,24,25,30)