[2-(2,3-dihydro-1-benzothiepin-4-ylmethylamino)phenyl] ethanoate

Systemtic Name: [2-(2,3-dihydro-1-benzothiepin-4-ylmethylamino)phenyl] ethanoate Openeye Name: [2-(2,3-dihydro-1-benzothiepin-4-ylmethylamino)phenyl] acetate CAS Name: acetic acid [2-(2,3-dihydro-1-benzothiepin-4-ylmethylamino)phenyl] ester IUPAC Name: [2-(2,3-dihydro-1-benzothiepin-4-ylmethylamino)phenyl] acetate Traditional Name: acetic acid [2-(2,3-dihydro-1-benzothiepin-4-ylmethylamino)phenyl] ester Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1NCC2=CC3=CC=CC=C3SCC2

Isomeric SMILES

CC(=O)OC1=CC=CC=C1NCC2=CC3=CC=CC=C3SCC2

InChI

InChI=1S/C19H19NO2S/c1-14(21)22-18-8-4-3-7-17(18)20-13-15-10-11-23-19-9-5-2-6-16(19)12-15/h2-9,12,20H,10-11,13H2,1H3