S-[(1S)-1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-propyl] benzenecarbothioate

Systemtic Name: S-[(1S)-1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-propyl] benzenecarbothioate Openeye Name: S-[(1S)-1-(4-methoxyphenyl)-3-oxo-3-phenyl-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1S)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl] ester IUPAC Name: S-[(1S)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1S)-3-keto-1-(4-methoxyphenyl)-3-phenyl-propyl] ester Formula: C23H20O3S MolecularWeight: 376.4681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20O3S/c1-26-20-14-12-18(13-15-20)22(16-21(24)17-8-4-2-5-9-17)27-23(25)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3/t22-/m0/s1