1-(2-chloroethyloxymethyl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(2-chloroethyloxymethyl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(2-chloroethoxymethyl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(2-chloroethoxymethyl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(2-chloroethoxymethyl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(2-chloroethoxymethyl)-6,7-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(C2=C(C=C1)C(SCCC2)COCCCl)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(SCCC2)COCCCl)OC

InChI

InChI=1S/C15H21ClO3S/c1-17-13-6-5-11-12(15(13)18-2)4-3-9-20-14(11)10-19-8-7-16/h5-6,14H,3-4,7-10H2,1-2H3