3-azabicyclo[2.2.0]hexa-1,3,5-triene; 2-[2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenoxy]ethylamino]-1-chloranyl-ethanol

Systemtic Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 2-[2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenoxy]ethylamino]-1-chloranyl-ethanol Openeye Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 2-[2-[4-[4-(benzofuran-2-yl)thiazol-2-yl]phenoxy]ethylamino]-1-chloro-ethanol CAS Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 2-[2-[4-[4-(2-benzofuranyl)-2-thiazolyl]phenoxy]ethylamino]-1-chloroethanol IUPAC Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 2-[2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenoxy]ethylamino]-1-chloroethanol Traditional Name: 3-azabicyclo[2.2.0]hexa-1,3,5-triene; 2-[2-[4-[4-(benzofuran-2-yl)thiazol-2-yl]phenoxy]ethylamino]-1-chloro-ethanol Formula: C26H22ClN3O3S MolecularWeight: 491.98918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=CSC(=N3)C4=CC=C(C=C4)OCCNCC(O)Cl.C1=CC2=NC=C21

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=CSC(=N3)C4=CC=C(C=C4)OCCNCC(O)Cl.C1=CC2=NC=C21

InChI

InChI=1S/C21H19ClN2O3S.C5H3N/c22-20(25)12-23-9-10-26-16-7-5-14(6-8-16)21-24-17(13-28-21)19-11-15-3-1-2-4-18(15)27-19;1-2-5-4(1)3-6-5/h1-8,11,13,20,23,25H,9-10,12H2;1-3H