2-[[6-(furan-2-ylmethylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-(furan-2-ylmethylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(2-furylmethylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[(2-furanylmethylamino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(furan-2-ylmethylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(2-furfurylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=C2C1)SCC(=O)O

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=C2C1)SCC(=O)O

InChI

InChI=1S/C21H20N2O4S/c24-19(25)12-28-20-15-5-1-2-6-17(15)23-18-10-13(7-8-16(18)20)21(26)22-11-14-4-3-9-27-14/h3-4,7-10H,1-2,5-6,11-12H2,(H,22,26)(H,24,25)