3-cyclohexyl-2-(furan-3-yl)-1-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-(3-furyl)-1-(2-oxo-2-thiomorpholino-ethyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(3-furanyl)-1-(2-oxo-2-thiomorpholin-4-ylethyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-thiomorpholin-4-ylethyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-(3-furyl)-1-(2-keto-2-thiomorpholino-ethyl)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)N4CCSCC4)C5=COC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCSCC4)C5=COC=C5

InChI

InChI=1S/C25H28N2O4S/c28-22(26-9-12-32-13-10-26)15-27-21-14-18(25(29)30)6-7-20(21)23(17-4-2-1-3-5-17)24(27)19-8-11-31-16-19/h6-8,11,14,16-17H,1-5,9-10,12-13,15H2,(H,29,30)