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

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O5S2/c1-25-17(24)11-2-4-12-15(9-11)29-19(20-12)22-18(28)21-16(23)10-3-5-13-14(8-10)27-7-6-26-13/h2-5,8-9H,6-7H2,1H3,(H2,20,21,22,23,28)