(3,3-dimethyl-2-oxidanylidene-butyl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 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-keto-3,3-dimethyl-butyl) ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S/c1-25(2,3)21(27)15-29-24(28)22-18-10-4-5-12-20(18)26-23-16(8-6-11-19(22)23)14-17-9-7-13-30-17/h4-5,7,9-10,12-14H,6,8,11,15H2,1-3H3