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

Systemtic Name: 8-bromanyl-1-(2-chloroethyloxymethyl)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 8-bromo-1-(2-chloroethoxymethyl)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 8-bromo-1-(2-chloroethoxymethyl)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 8-bromo-1-(2-chloroethoxymethyl)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 8-bromo-1-(2-chloroethoxymethyl)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepin Formula: C14H18BrClO2S MolecularWeight: 365.71352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrClO2S/c1-17-13-7-10-3-2-6-19-14(9-18-5-4-16)11(10)8-12(13)15/h7-8,14H,2-6,9H2,1H3