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

Systemtic Name: phenacyl 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: phenacyl 2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid phenacyl ester IUPAC Name: phenacyl 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid phenacyl ester Formula: C31H29NO3S MolecularWeight: 495.63186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H29NO3S/c1-31(2,3)22-16-21(17-23-12-9-15-36-23)29-25(18-22)28(24-13-7-8-14-26(24)32-29)30(34)35-19-27(33)20-10-5-4-6-11-20/h4-15,17,22H,16,18-19H2,1-3H3