(4-oxidanylidene-4-thiophen-2-yl-butyl) 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H21NO3S/c24-19(20-12-6-14-27-20)11-5-13-26-22(25)21-15-7-1-3-9-17(15)23-18-10-4-2-8-16(18)21/h1,3,6-7,9,12,14H,2,4-5,8,10-11,13H2