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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 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-(1-adamantyl)-2-keto-ethyl] ester Formula: C31H31NO3S MolecularWeight: 497.64774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H31NO3S/c33-27(31-15-19-11-20(16-31)13-21(12-19)17-31)18-35-30(34)28-24-7-1-2-9-26(24)32-29-22(5-3-8-25(28)29)14-23-6-4-10-36-23/h1-2,4,6-7,9-10,14,19-21H,3,5,8,11-13,15-18H2