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

Systemtic Name: (2-thiophen-2-yl-1,4-thiazepan-4-yl) ethanoate Openeye Name: [2-(2-thienyl)-1,4-thiazepan-4-yl] acetate CAS Name: acetic acid (2-thiophen-2-yl-1,4-thiazepan-4-yl) ester IUPAC Name: (2-thiophen-2-yl-1,4-thiazepan-4-yl) acetate Traditional Name: acetic acid [2-(2-thienyl)-1,4-thiazepan-4-yl] ester Formula: C11H15NO2S2 MolecularWeight: 257.3723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1CCCSC(C1)C2=CC=CS2

Isomeric SMILES

CC(=O)ON1CCCSC(C1)C2=CC=CS2

InChI

InChI=1S/C11H15NO2S2/c1-9(13)14-12-5-3-7-16-11(8-12)10-4-2-6-15-10/h2,4,6,11H,3,5,7-8H2,1H3