[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-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 [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 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-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H25N3O4S/c21-10-5-11-22-16(24)12-27-20(26)17-14-8-4-9-15(14)28-19(17)23-18(25)13-6-2-1-3-7-13/h13H,1-9,11-12H2,(H,22,24)(H,23,25)