2-(9-bromanyl-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-yl-ethanone

Systemtic Name: 2-(9-bromanyl-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-yl-ethanone Openeye Name: 2-(9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(2-thienyl)ethanone CAS Name: 2-(9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-ylethanone IUPAC Name: 2-(9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-thiophen-2-ylethanone Traditional Name: 2-(9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-1-(2-thienyl)ethanone Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1CC(=O)C3=CC=CS3)C(=C4C(=C2Br)OCO4)OC

Isomeric SMILES

CN1CCC2=C(C1CC(=O)C3=CC=CS3)C(=C4C(=C2Br)OCO4)OC

InChI

InChI=1S/C18H18BrNO4S/c1-20-6-5-10-14(11(20)8-12(21)13-4-3-7-25-13)16(22-2)18-17(15(10)19)23-9-24-18/h3-4,7,11H,5-6,8-9H2,1-2H3