2-[[(3E)-3-(5,5-dimethyl-4-morpholin-4-yl-furan-2-ylidene)-2-oxidanylidene-1H-indol-6-yl]sulfanyl]benzoic acid

Systemtic Name: 2-[[(3E)-3-(5,5-dimethyl-4-morpholin-4-yl-furan-2-ylidene)-2-oxidanylidene-1H-indol-6-yl]sulfanyl]benzoic acid Openeye Name: 2-[(3E)-3-(5,5-dimethyl-4-morpholino-2-furylidene)-2-oxo-indolin-6-yl]sulfanylbenzoic acid CAS Name: 2-[[(3E)-3-[5,5-dimethyl-4-(4-morpholinyl)-2-furanylidene]-2-oxo-1H-indol-6-yl]thio]benzoic acid IUPAC Name: 2-[[(3E)-3-(5,5-dimethyl-4-morpholin-4-ylfuran-2-ylidene)-2-oxo-1H-indol-6-yl]sulfanyl]benzoic acid Traditional Name: 2-[[(3E)-3-(5,5-dimethyl-4-morpholino-2-furylidene)-2-keto-indolin-6-yl]thio]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC(=C2C3=C(C=C(C=C3)SC4=CC=CC=C4C(=O)O)NC2=O)O1)N5CCOCC5)C

Isomeric SMILES

CC1(C(=C/C(=C\2/C3=C(C=C(C=C3)SC4=CC=CC=C4C(=O)O)NC2=O)/O1)N5CCOCC5)C

InChI

InChI=1S/C25H24N2O5S/c1-25(2)21(27-9-11-31-12-10-27)14-19(32-25)22-16-8-7-15(13-18(16)26-23(22)28)33-20-6-4-3-5-17(20)24(29)30/h3-8,13-14H,9-12H2,1-2H3,(H,26,28)(H,29,30)/b22-19+