3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-thiophen-2-yl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-thiophen-2-yl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-(2-morpholino-2-oxo-ethyl)-2-(2-thienyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(4-morpholinyl)-2-oxoethyl]-2-thiophen-2-yl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-2-ylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)-2-(2-thienyl)indole-6-carboxylic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C25H28N2O4S/c28-22(26-10-12-31-13-11-26)16-27-20-15-18(25(29)30)8-9-19(20)23(17-5-2-1-3-6-17)24(27)21-7-4-14-32-21/h4,7-9,14-15,17H,1-3,5-6,10-13,16H2,(H,29,30)