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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-2-3-13-26-22(28)16-30-25(29)23-19-10-4-5-12-21(19)27-24-17(8-6-11-20(23)24)15-18-9-7-14-31-18/h4-5,7,9-10,12,14-15H,2-3,6,8,11,13,16H2,1H3,(H,26,28)/b17-15-