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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3S/c1-3-18(4-2)27-23(29)16-31-26(30)24-20-11-5-6-13-22(20)28-25-17(9-7-12-21(24)25)15-19-10-8-14-32-19/h5-6,8,10-11,13-15,18H,3-4,7,9,12,16H2,1-2H3,(H,27,29)