ditert-butyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate

Systemtic Name: ditert-butyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate Openeye Name: ditert-butyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b]benzothiophene-2,2a-dicarboxylate CAS Name: 1-(1-pyrrolidinyl)-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate Traditional Name: 1-pyrrolidino-7bH-cyclobuta[b]benzothiophene-2,2a-dicarboxylic acid ditert-butyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2C1(SC3=CC=CC=C23)C(=O)OC(C)(C)C)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2C1(SC3=CC=CC=C23)C(=O)OC(C)(C)C)N4CCCC4

InChI

InChI=1S/C24H31NO4S/c1-22(2,3)28-20(26)18-19(25-13-9-10-14-25)17-15-11-7-8-12-16(15)30-24(17,18)21(27)29-23(4,5)6/h7-8,11-12,17H,9-10,13-14H2,1-6H3