[(2S,4R)-2-phenyl-3,4-dihydro-2H-thiochromen-4-yl] benzoate

Systemtic Name: [(2S,4R)-2-phenyl-3,4-dihydro-2H-thiochromen-4-yl] benzoate Openeye Name: [(2S,4R)-2-phenylthiochroman-4-yl] benzoate CAS Name: benzoic acid [(2S,4R)-2-phenyl-3,4-dihydro-2H-1-benzothiopyran-4-yl] ester IUPAC Name: [(2S,4R)-2-phenyl-3,4-dihydro-2H-thiochromen-4-yl] benzoate Traditional Name: benzoic acid [(2S,4R)-2-phenylthiochroman-4-yl] ester Formula: C22H18O2S MolecularWeight: 346.44212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC1C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](C2=CC=CC=C2S[C@@H]1C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18O2S/c23-22(17-11-5-2-6-12-17)24-19-15-21(16-9-3-1-4-10-16)25-20-14-8-7-13-18(19)20/h1-14,19,21H,15H2/t19-,21+/m1/s1