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

Systemtic Name: 3,3-dimethyl-7-prop-1-en-2-yl-4,5-dihydro-2H-1-benzothiepine Openeye Name: 7-isopropenyl-3,3-dimethyl-4,5-dihydro-2H-1-benzothiepine CAS Name: 3,3-dimethyl-7-(1-methylethenyl)-4,5-dihydro-2H-1-benzothiepin IUPAC Name: 3,3-dimethyl-7-prop-1-en-2-yl-4,5-dihydro-2H-1-benzothiepine Traditional Name: 7-isopropenyl-3,3-dimethyl-4,5-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)SCC(CC2)(C)C

Isomeric SMILES

CC(=C)C1=CC2=C(C=C1)SCC(CC2)(C)C

InChI

InChI=1S/C15H20S/c1-11(2)12-5-6-14-13(9-12)7-8-15(3,4)10-16-14/h5-6,9H,1,7-8,10H2,2-4H3