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

Systemtic Name: ethyl 4-[(E)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C24H28O2S MolecularWeight: 380.54292

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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)SCC(CC3)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28O2S/c1-5-26-23(25)19-8-6-18(7-9-19)14-17(2)20-10-11-22-21(15-20)12-13-24(3,4)16-27-22/h6-11,14-15H,5,12-13,16H2,1-4H3/b17-14+