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

Systemtic Name: [(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] benzoate Openeye Name: [(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] ester IUPAC Name: [(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-2-(2,3,4,5-tetrahydro-1-benzothiepin-8-yl)prop-1-enyl] ester Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC(=O)C1=CC=CC=C1)C2=CC3=C(CCCCS3)C=C2

Isomeric SMILES

C/C(=C/OC(=O)C1=CC=CC=C1)/C2=CC3=C(CCCCS3)C=C2

InChI

InChI=1S/C20H20O2S/c1-15(14-22-20(21)17-8-3-2-4-9-17)18-11-10-16-7-5-6-12-23-19(16)13-18/h2-4,8-11,13-14H,5-7,12H2,1H3/b15-14-