S-[(E)-3-oxidanylidene-1-phenyl-hept-1-en-4-yl] benzenecarbothioate

Systemtic Name: S-[(E)-3-oxidanylidene-1-phenyl-hept-1-en-4-yl] benzenecarbothioate Openeye Name: S-[(E)-2-oxo-4-phenyl-1-propyl-but-3-enyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-3-oxo-1-phenylhept-1-en-4-yl] ester IUPAC Name: S-[(E)-3-oxo-1-phenylhept-1-en-4-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-2-keto-4-phenyl-1-propyl-but-3-enyl] ester Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C=CC1=CC=CC=C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)/C=C/C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20O2S/c1-2-9-19(23-20(22)17-12-7-4-8-13-17)18(21)15-14-16-10-5-3-6-11-16/h3-8,10-15,19H,2,9H2,1H3/b15-14+