tert-butyl 7-thiophen-2-yl-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-thiophen-2-yl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-(2-thienyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-thiophen-2-yl-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-thiophen-2-yl-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(2-thienyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=CS2

InChI

InChI=1S/C15H21NO2S/c1-15(2,3)18-14(17)16-10-6-4-5-8-12(16)13-9-7-11-19-13/h7-9,11H,4-6,10H2,1-3H3