(2-phenyl-1,4-thiazepan-4-yl) ethanoate

Systemtic Name: (2-phenyl-1,4-thiazepan-4-yl) ethanoate Openeye Name: (2-phenyl-1,4-thiazepan-4-yl) acetate CAS Name: acetic acid (2-phenyl-1,4-thiazepan-4-yl) ester IUPAC Name: (2-phenyl-1,4-thiazepan-4-yl) acetate Traditional Name: acetic acid (2-phenyl-1,4-thiazepan-4-yl) ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1CCCSC(C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)ON1CCCSC(C1)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO2S/c1-11(15)16-14-8-5-9-17-13(10-14)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3