1-methyl-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-methyl-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-methyl-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-methyl-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-methyl-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-methyl-1,3,4,5-tetrahydro-2-benzothiepin Formula: C11H14S MolecularWeight: 178.29386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCCS1

Isomeric SMILES

CC1C2=CC=CC=C2CCCS1

InChI

InChI=1S/C11H14S/c1-9-11-7-3-2-5-10(11)6-4-8-12-9/h2-3,5,7,9H,4,6,8H2,1H3