ethyl 4-[(E)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C(C)C2=CC3=C(C=C2)SCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)SCCCC3

InChI

InChI=1S/C22H24O2S/c1-3-24-22(23)18-9-7-17(8-10-18)14-16(2)19-11-12-21-20(15-19)6-4-5-13-25-21/h7-12,14-15H,3-6,13H2,1-2H3/b16-14+