1-(2-hydroxyethyloxymethyl)-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-7-ol

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-7-ol Openeye Name: 1-(2-hydroxyethoxymethyl)-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-7-ol CAS Name: 1-(2-hydroxyethoxymethyl)-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-7-ol IUPAC Name: 1-(2-hydroxyethoxymethyl)-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-7-ol Traditional Name: 1-(2-hydroxyethoxymethyl)-6-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-7-ol Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1CCCSC2COCCO)O

Isomeric SMILES

COC1=C(C=CC2=C1CCCSC2COCCO)O

InChI

InChI=1S/C14H20O4S/c1-17-14-11-3-2-8-19-13(9-18-7-6-15)10(11)4-5-12(14)16/h4-5,13,15-16H,2-3,6-9H2,1H3