3-methyl-7-prop-1-en-2-yl-2,3,4,5-tetrahydro-1-benzothiepine

Systemtic Name: 3-methyl-7-prop-1-en-2-yl-2,3,4,5-tetrahydro-1-benzothiepine Openeye Name: 7-isopropenyl-3-methyl-2,3,4,5-tetrahydro-1-benzothiepine CAS Name: 3-methyl-7-(1-methylethenyl)-2,3,4,5-tetrahydro-1-benzothiepin IUPAC Name: 3-methyl-7-prop-1-en-2-yl-2,3,4,5-tetrahydro-1-benzothiepine Traditional Name: 7-isopropenyl-3-methyl-2,3,4,5-tetrahydro-1-benzothiepin Formula: C14H18S MolecularWeight: 218.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C=CC(=C2)C(=C)C)SC1

Isomeric SMILES

CC1CCC2=C(C=CC(=C2)C(=C)C)SC1

InChI

InChI=1S/C14H18S/c1-10(2)12-6-7-14-13(8-12)5-4-11(3)9-15-14/h6-8,11H,1,4-5,9H2,2-3H3