5-[bis(5-ethylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole

Systemtic Name: 5-[bis(5-ethylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole Openeye Name: 5-[bis(5-ethyl-2-furyl)methyl]-6-isothiocyanato-1,3-benzodioxole CAS Name: 5-[bis(5-ethyl-2-furanyl)methyl]-6-isothiocyanato-1,3-benzodioxole IUPAC Name: 5-[bis(5-ethylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole Traditional Name: 5-[bis(5-ethyl-2-furyl)methyl]-6-isothiocyanato-1,3-benzodioxole Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C(C2=CC=C(O2)CC)C3=CC4=C(C=C3N=C=S)OCO4

Isomeric SMILES

CCC1=CC=C(O1)C(C2=CC=C(O2)CC)C3=CC4=C(C=C3N=C=S)OCO4

InChI

InChI=1S/C21H19NO4S/c1-3-13-5-7-17(25-13)21(18-8-6-14(4-2)26-18)15-9-19-20(24-12-23-19)10-16(15)22-11-27/h5-10,21H,3-4,12H2,1-2H3