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

Systemtic Name: 3,5,5-trimethyl-7-prop-1-en-2-yl-3,4-dihydro-2H-1-benzothiepine Openeye Name: 7-isopropenyl-3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepine CAS Name: 3,5,5-trimethyl-7-(1-methylethenyl)-3,4-dihydro-2H-1-benzothiepin IUPAC Name: 3,5,5-trimethyl-7-prop-1-en-2-yl-3,4-dihydro-2H-1-benzothiepine Traditional Name: 7-isopropenyl-3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin Formula: C16H22S MolecularWeight: 246.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(C=CC(=C2)C(=C)C)SC1)(C)C

Isomeric SMILES

CC1CC(C2=C(C=CC(=C2)C(=C)C)SC1)(C)C

InChI

InChI=1S/C16H22S/c1-11(2)13-6-7-15-14(8-13)16(4,5)9-12(3)10-17-15/h6-8,12H,1,9-10H2,2-5H3