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

Systemtic Name: 2-phenoxyethyl 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C31H31NO3S MolecularWeight: 497.64774

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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)OCCOC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCCOC5=CC=CC=C5

InChI

InChI=1S/C31H31NO3S/c1-31(2,3)22-18-21(19-24-12-9-17-36-24)29-26(20-22)28(25-13-7-8-14-27(25)32-29)30(33)35-16-15-34-23-10-5-4-6-11-23/h4-14,17,19,22H,15-16,18,20H2,1-3H3