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

Systemtic Name: 4-cyclohexyl-6-[2-(dimethylamino)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-b]pyrrole-2-carboxylic acid Openeye Name: 4-cyclohexyl-6-[2-(dimethylamino)-2-oxo-ethyl]-5-phenyl-thieno[2,3-b]pyrrole-2-carboxylic acid CAS Name: 4-cyclohexyl-6-[2-(dimethylamino)-2-oxoethyl]-5-phenyl-2-thieno[2,3-b]pyrrolecarboxylic acid IUPAC Name: 4-cyclohexyl-6-[2-(dimethylamino)-2-oxoethyl]-5-phenylthieno[2,3-b]pyrrole-2-carboxylic acid Traditional Name: 4-cyclohexyl-6-[2-(dimethylamino)-2-keto-ethyl]-5-phenyl-thieno[2,3-b]pyrrole-2-carboxylic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C(=C(C2=C1SC(=C2)C(=O)O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)CN1C(=C(C2=C1SC(=C2)C(=O)O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3S/c1-24(2)19(26)14-25-21(16-11-7-4-8-12-16)20(15-9-5-3-6-10-15)17-13-18(23(27)28)29-22(17)25/h4,7-8,11-13,15H,3,5-6,9-10,14H2,1-2H3,(H,27,28)