2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-thiomorpholin-4-yl-ethanone

Systemtic Name: 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-thiomorpholin-4-yl-ethanone Openeye Name: 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-thiomorpholino-ethanone CAS Name: 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1-indolyl]-1-thiomorpholin-4-ylethanone IUPAC Name: 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-thiomorpholin-4-ylethanone Traditional Name: 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-thiomorpholino-ethanone Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C3=CC4=C(N3)N=CC=C4)CC(=O)N5CCSCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3=CC4=C(N3)N=CC=C4)CC(=O)N5CCSCC5

InChI

InChI=1S/C22H22N4O2S/c1-28-16-4-5-20-17(12-16)18(19-11-15-3-2-6-23-22(15)24-19)13-26(20)14-21(27)25-7-9-29-10-8-25/h2-6,11-13H,7-10,14H2,1H3,(H,23,24)