1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidate

Systemtic Name: 1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidate Openeye Name: 2-(1,3,2-benzodioxaborol-2-yl)-3-[(Z)-1-(2-thienyl)ethylideneamino]isourea CAS Name: N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidic acid 1,3,2-benzodioxaborol-2-yl ester IUPAC Name: 1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidate Traditional Name: 2-(1,3,2-benzodioxaborol-2-yl)-3-[(Z)-1-(2-thienyl)ethylideneamino]isourea Formula: C13H12BN3O3S MolecularWeight: 301.12868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OC2=CC=CC=C2O1)OC(=NN=C(C)C3=CC=CS3)N

Isomeric SMILES

B1(OC2=CC=CC=C2O1)O/C(=N\N=C(\C)/C3=CC=CS3)/N

InChI

InChI=1S/C13H12BN3O3S/c1-9(12-7-4-8-21-12)16-17-13(15)20-14-18-10-5-2-3-6-11(10)19-14/h2-8H,1H3,(H2,15,17)/b16-9-