[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] benzoate

Systemtic Name: [(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] benzoate Openeye Name: [(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] ester IUPAC Name: [(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] ester Formula: C21H22O2S MolecularWeight: 338.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCSC2=C1C=CC(=C2)C(=COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCCSC2=C1C=CC(=C2)/C(=C/OC(=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C21H22O2S/c1-15-7-6-12-24-20-13-18(10-11-19(15)20)16(2)14-23-21(22)17-8-4-3-5-9-17/h3-5,8-11,13-15H,6-7,12H2,1-2H3/b16-14+