1-(2-chloroethyloxymethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(2-chloroethyloxymethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(2-chloroethoxymethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(2-chloroethoxymethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(2-chloroethoxymethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(2-chloroethoxymethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin Formula: C15H21ClO3S MolecularWeight: 316.84344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(SCCCC2=C1)COCCCl)OC

Isomeric SMILES

COC1=C(C=C2C(SCCCC2=C1)COCCCl)OC

InChI

InChI=1S/C15H21ClO3S/c1-17-13-8-11-4-3-7-20-15(10-19-6-5-16)12(11)9-14(13)18-2/h8-9,15H,3-7,10H2,1-2H3