1-(2-chloroethyloxymethyl)-9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(2-chloroethyloxymethyl)-9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(2-chloroethoxymethyl)-9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(2-chloroethoxymethyl)-9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(2-chloroethoxymethyl)-9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(2-chloroethoxymethyl)-9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzothiepin Formula: C17H25ClO2S MolecularWeight: 328.8972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(CCCSC2COCCCl)C=C1)OC

Isomeric SMILES

CCCC1=C(C2=C(CCCSC2COCCCl)C=C1)OC

InChI

InChI=1S/C17H25ClO2S/c1-3-5-14-8-7-13-6-4-11-21-15(12-20-10-9-18)16(13)17(14)19-2/h7-8,15H,3-6,9-12H2,1-2H3