[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52

InChI

InChI=1S/C29H32N2O3S/c32-26(30-21-11-4-2-1-3-5-12-21)19-34-29(33)27-23-14-6-7-16-25(23)31-28-20(10-8-15-24(27)28)18-22-13-9-17-35-22/h6-7,9,13-14,16-18,21H,1-5,8,10-12,15,19H2,(H,30,32)