tert-butyl 2-(5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl)ethanoate

Systemtic Name: tert-butyl 2-(5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl)ethanoate Openeye Name: tert-butyl 2-(5-oxo-3-phenyl-1,4-thiazepan-4-yl)acetate CAS Name: 2-(5-oxo-3-phenyl-1,4-thiazepan-4-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-oxo-3-phenyl-1,4-thiazepan-4-yl)acetate Traditional Name: 2-(5-keto-3-phenyl-1,4-thiazepan-4-yl)acetic acid tert-butyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CSCCC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CSCCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c1-17(2,3)21-16(20)11-18-14(12-22-10-9-15(18)19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3