5,5-dimethyl-7-prop-1-en-2-yl-3,4-dihydro-2H-1-benzothiepine

Systemtic Name: 5,5-dimethyl-7-prop-1-en-2-yl-3,4-dihydro-2H-1-benzothiepine Openeye Name: 7-isopropenyl-5,5-dimethyl-3,4-dihydro-2H-1-benzothiepine CAS Name: 5,5-dimethyl-7-(1-methylethenyl)-3,4-dihydro-2H-1-benzothiepin IUPAC Name: 5,5-dimethyl-7-prop-1-en-2-yl-3,4-dihydro-2H-1-benzothiepine Traditional Name: 7-isopropenyl-5,5-dimethyl-3,4-dihydro-2H-1-benzothiepin Formula: C15H20S MolecularWeight: 232.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC2=C(C=C1)SCCCC2(C)C

Isomeric SMILES

CC(=C)C1=CC2=C(C=C1)SCCCC2(C)C

InChI

InChI=1S/C15H20S/c1-11(2)12-6-7-14-13(10-12)15(3,4)8-5-9-16-14/h6-7,10H,1,5,8-9H2,2-4H3