[(1R)-1-cyanoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [(1R)-1-cyanoethyl] (4Z)-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4Z)-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C2CCCC(=CC3=CC=CS3)C2=NC4=CC=CC=C41

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C2CCC/C(=C/C3=CC=CS3)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C22H18N2O2S/c1-14(13-23)26-22(25)20-17-8-2-3-10-19(17)24-21-15(6-4-9-18(20)21)12-16-7-5-11-27-16/h2-3,5,7-8,10-12,14H,4,6,9H2,1H3/b15-12-/t14-/m1/s1