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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(isobutylamino)-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-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-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-(isobutylamino)-2-keto-ethyl] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-16(2)14-26-22(28)15-30-25(29)23-19-9-3-4-11-21(19)27-24-17(7-5-10-20(23)24)13-18-8-6-12-31-18/h3-4,6,8-9,11-13,16H,5,7,10,14-15H2,1-2H3,(H,26,28)