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

Systemtic Name: ethyl 4-[(E)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(3,4-dihydro-2H-1,5-benzodithiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C21H22O2S2 MolecularWeight: 370.52818

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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)SCCCS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)SCCCS3

InChI

InChI=1S/C21H22O2S2/c1-3-23-21(22)17-7-5-16(6-8-17)13-15(2)18-9-10-19-20(14-18)25-12-4-11-24-19/h5-10,13-14H,3-4,11-12H2,1-2H3/b15-13+