5-(methoxymethyl)-5-propyl-3,4,9,9a-tetrahydro-2H-1-benzothiepine

Systemtic Name: 5-(methoxymethyl)-5-propyl-3,4,9,9a-tetrahydro-2H-1-benzothiepine Openeye Name: 5-(methoxymethyl)-5-propyl-3,4,9,9a-tetrahydro-2H-1-benzothiepine CAS Name: 5-(methoxymethyl)-5-propyl-3,4,9,9a-tetrahydro-2H-1-benzothiepin IUPAC Name: 5-(methoxymethyl)-5-propyl-3,4,9,9a-tetrahydro-2H-1-benzothiepine Traditional Name: 5-(methoxymethyl)-5-propyl-3,4,9,9a-tetrahydro-2H-1-benzothiepin Formula: C15H24OS MolecularWeight: 252.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCSC2C1=CC=CC2)COC

Isomeric SMILES

CCCC1(CCCSC2C1=CC=CC2)COC

InChI

InChI=1S/C15H24OS/c1-3-9-15(12-16-2)10-6-11-17-14-8-5-4-7-13(14)15/h4-5,7,14H,3,6,8-12H2,1-2H3