5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylsulfonyl)-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylsulfonyl)-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)oxazole CAS Name: 4-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yloxazole IUPAC Name: 4-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-besyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)oxazole Formula: C22H18N2O3S2 MolecularWeight: 422.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(N=C(O3)C4=CC=CS4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(N=C(O3)C4=CC=CS4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H18N2O3S2/c25-29(26,18-9-2-1-3-10-18)21-22(27-20(23-21)19-11-6-14-28-19)24-13-12-16-7-4-5-8-17(16)15-24/h1-11,14H,12-13,15H2