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

Systemtic Name: ethyl 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C25H30O2S MolecularWeight: 394.5695

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30O2S/c1-6-27-24(26)20-9-7-19(8-10-20)13-18(3)21-11-12-23-22(14-21)25(4,5)15-17(2)16-28-23/h7-14,17H,6,15-16H2,1-5H3/b18-13+