[1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(cyclohexylcarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(cyclohexylcarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-(cyclohexanecarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid [1-oxo-1-(2-pyrimidinylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(cyclohexanecarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid [2-keto-1-methyl-2-(2-pyrimidylamino)ethyl] ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)OC(=O)C2=C(SC3=C2CCC3)NC(=O)C4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=NC=CC=N1)OC(=O)C2=C(SC3=C2CCC3)NC(=O)C4CCCCC4

InChI

InChI=1S/C22H26N4O4S/c1-13(18(27)26-22-23-11-6-12-24-22)30-21(29)17-15-9-5-10-16(15)31-20(17)25-19(28)14-7-3-2-4-8-14/h6,11-14H,2-5,7-10H2,1H3,(H,25,28)(H,23,24,26,27)