tert-butyl 7-(5-bromanylthiophen-2-yl)-1,1-bis(oxidanylidene)-1,4-thiazepane-4-carboxylate

Systemtic Name: tert-butyl 7-(5-bromanylthiophen-2-yl)-1,1-bis(oxidanylidene)-1,4-thiazepane-4-carboxylate Openeye Name: tert-butyl 7-(5-bromo-2-thienyl)-1,1-dioxo-1,4-thiazepane-4-carboxylate CAS Name: 7-(5-bromo-2-thiophenyl)-1,1-dioxo-1,4-thiazepane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(5-bromothiophen-2-yl)-1,1-dioxo-1,4-thiazepane-4-carboxylate Traditional Name: 7-(5-bromo-2-thienyl)-1,1-diketo-1,4-thiazepane-4-carboxylic acid tert-butyl ester Formula: C14H20BrNO4S2 MolecularWeight: 410.3469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)CC1)C2=CC=C(S2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)CC1)C2=CC=C(S2)Br

InChI

InChI=1S/C14H20BrNO4S2/c1-14(2,3)20-13(17)16-7-6-11(22(18,19)9-8-16)10-4-5-12(15)21-10/h4-5,11H,6-9H2,1-3H3