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

Systemtic Name: 1-(2-chloroethyloxymethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(2-chloroethoxymethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(2-chloroethoxymethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(2-chloroethoxymethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(2-chloroethoxymethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepin Formula: C15H21ClO2S MolecularWeight: 300.84404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCSC(C2=C1C=C(C=C2)OC)COCCCl

Isomeric SMILES

CC1CCSC(C2=C1C=C(C=C2)OC)COCCCl

InChI

InChI=1S/C15H21ClO2S/c1-11-5-8-19-15(10-18-7-6-16)13-4-3-12(17-2)9-14(11)13/h3-4,9,11,15H,5-8,10H2,1-2H3