ethyl 2-[2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C17H20IN3O3S MolecularWeight: 473.32847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=C(C(=N3)C)I)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=C(C(=N3)C)I)C

InChI

InChI=1S/C17H20IN3O3S/c1-4-24-17(23)14-11-6-5-7-12(11)25-16(14)19-13(22)8-21-10(3)15(18)9(2)20-21/h4-8H2,1-3H3,(H,19,22)