tert-butyl 7-(4-methoxyphenyl)-1,1-bis(oxidanylidene)-1,4-thiazepane-4-carboxylate

Systemtic Name: tert-butyl 7-(4-methoxyphenyl)-1,1-bis(oxidanylidene)-1,4-thiazepane-4-carboxylate Openeye Name: tert-butyl 7-(4-methoxyphenyl)-1,1-dioxo-1,4-thiazepane-4-carboxylate CAS Name: 7-(4-methoxyphenyl)-1,1-dioxo-1,4-thiazepane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-methoxyphenyl)-1,1-dioxo-1,4-thiazepane-4-carboxylate Traditional Name: 1,1-diketo-7-(4-methoxyphenyl)-1,4-thiazepane-4-carboxylic acid tert-butyl ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-17(2,3)23-16(19)18-10-9-15(24(20,21)12-11-18)13-5-7-14(22-4)8-6-13/h5-8,15H,9-12H2,1-4H3