[(E)-2-[4-(3-methyl-2-sulfanylidene-but-3-enyl)phenyl]ethenyl] 2-ethylbenzoate

Systemtic Name: [(E)-2-[4-(3-methyl-2-sulfanylidene-but-3-enyl)phenyl]ethenyl] 2-ethylbenzoate Openeye Name: [(E)-2-[4-(3-methyl-2-thioxo-but-3-enyl)phenyl]vinyl] 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid [(E)-2-[4-(3-methyl-2-sulfanylidenebut-3-enyl)phenyl]ethenyl] ester IUPAC Name: [(E)-2-[4-(3-methyl-2-sulfanylidenebut-3-enyl)phenyl]ethenyl] 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid [(E)-2-[4-(3-methyl-2-thioxo-but-3-enyl)phenyl]vinyl] ester Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC=CC2=CC=C(C=C2)CC(=S)C(=C)C

Isomeric SMILES

CCC1=CC=CC=C1C(=O)O/C=C/C2=CC=C(C=C2)CC(=S)C(=C)C

InChI

InChI=1S/C22H22O2S/c1-4-19-7-5-6-8-20(19)22(23)24-14-13-17-9-11-18(12-10-17)15-21(25)16(2)3/h5-14H,2,4,15H2,1,3H3/b14-13+