(2-methoxy-2-oxidanylidene-ethyl) (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2-methoxy-2-oxo-ethyl) (4E)-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-2-methoxy-ethyl) ester Formula: C22H19NO4S MolecularWeight: 393.45556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=C2CCCC(=CC3=CC=CS3)C2=NC4=CC=CC=C41

Isomeric SMILES

COC(=O)COC(=O)C1=C2CCC/C(=C\C3=CC=CS3)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C22H19NO4S/c1-26-19(24)13-27-22(25)20-16-8-2-3-10-18(16)23-21-14(6-4-9-17(20)21)12-15-7-5-11-28-15/h2-3,5,7-8,10-12H,4,6,9,13H2,1H3/b14-12+