2,3,4,5-tetrahydro-1-benzothiepin-5-yl ethanoate

Systemtic Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-yl ethanoate Openeye Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-yl acetate CAS Name: acetic acid 2,3,4,5-tetrahydro-1-benzothiepin-5-yl ester IUPAC Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-yl acetate Traditional Name: acetic acid 2,3,4,5-tetrahydro-1-benzothiepin-5-yl ester Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCSC2=CC=CC=C12

Isomeric SMILES

CC(=O)OC1CCCSC2=CC=CC=C12

InChI

InChI=1S/C12H14O2S/c1-9(13)14-11-6-4-8-15-12-7-3-2-5-10(11)12/h2-3,5,7,11H,4,6,8H2,1H3