[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S,4E)-2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C31H36N2O3S MolecularWeight: 516.69414

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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)N5CCCCCC5

Isomeric SMILES

CC(C)(C)[C@H]1C/C(=C\C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)N5CCCCCC5

InChI

InChI=1S/C31H36N2O3S/c1-31(2,3)22-17-21(18-23-11-10-16-37-23)29-25(19-22)28(24-12-6-7-13-26(24)32-29)30(35)36-20-27(34)33-14-8-4-5-9-15-33/h6-7,10-13,16,18,22H,4-5,8-9,14-15,17,19-20H2,1-3H3/b21-18+/t22-/m0/s1