2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-yl-ethanone

Systemtic Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-yl-ethanone Openeye Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(2-thienyl)ethanone CAS Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-ylethanone IUPAC Name: 2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-ylethanone Traditional Name: 2-(7,8-dihydro-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-1-(2-thienyl)ethanone Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC3=C(C=C21)OCO3)CC(=O)C4=CC=CS4

Isomeric SMILES

C1CN=C(C2=CC3=C(C=C21)OCO3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C16H13NO3S/c18-13(16-2-1-5-21-16)8-12-11-7-15-14(19-9-20-15)6-10(11)3-4-17-12/h1-2,5-7H,3-4,8-9H2