6-cyclohexyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-5-phenyl-thieno[3,2-b]pyrrole-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-5-phenyl-thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 6-cyclohexyl-4-(2-morpholino-2-oxo-ethyl)-5-phenyl-thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-4-[2-(4-morpholinyl)-2-oxoethyl]-5-phenyl-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 6-cyclohexyl-4-(2-keto-2-morpholino-ethyl)-5-phenyl-thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N2O4S/c28-21(26-11-13-31-14-12-26)16-27-19-15-20(25(29)30)32-24(19)22(17-7-3-1-4-8-17)23(27)18-9-5-2-6-10-18/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,16H2,(H,29,30)