1-[2-methyl-4-[6-(2-methylprop-2-enyl)thieno[2,3-b]pyrrol-5-yl]carbonyl-piperazin-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[2-methyl-4-[6-(2-methylprop-2-enyl)thieno[2,3-b]pyrrol-5-yl]carbonyl-piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[2-methyl-4-[6-(2-methylallyl)thieno[2,3-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[2-methyl-4-[[6-(2-methylprop-2-enyl)-5-thieno[2,3-b]pyrrolyl]-oxomethyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[2-methyl-4-[6-(2-methylprop-2-enyl)thieno[2,3-b]pyrrole-5-carbonyl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[2-methyl-4-[6-(2-methylallyl)thieno[2,3-b]pyrrole-5-carbonyl]piperazino]ethanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COCC2=CC=CC=C2)C(=O)C3=CC4=C(N3CC(=C)C)SC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)COCC2=CC=CC=C2)C(=O)C3=CC4=C(N3CC(=C)C)SC=C4

InChI

InChI=1S/C25H29N3O3S/c1-18(2)14-28-22(13-21-9-12-32-25(21)28)24(30)26-10-11-27(19(3)15-26)23(29)17-31-16-20-7-5-4-6-8-20/h4-9,12-13,19H,1,10-11,14-17H2,2-3H3