2-[(1R,2S)-2-methyl-2-phenylsulfanyl-cyclobutyl]propan-2-yl benzoate

Systemtic Name: 2-[(1R,2S)-2-methyl-2-phenylsulfanyl-cyclobutyl]propan-2-yl benzoate Openeye Name: [1-methyl-1-[(1R,2S)-2-methyl-2-phenylsulfanyl-cyclobutyl]ethyl] benzoate CAS Name: benzoic acid 2-[(1R,2S)-2-methyl-2-(phenylthio)cyclobutyl]propan-2-yl ester IUPAC Name: 2-[(1R,2S)-2-methyl-2-phenylsulfanylcyclobutyl]propan-2-yl benzoate Traditional Name: benzoic acid [1-methyl-1-[(1R,2S)-2-methyl-2-(phenylthio)cyclobutyl]ethyl] ester Formula: C21H24O2S MolecularWeight: 340.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC1C(C)(C)OC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@]1(CC[C@@H]1C(C)(C)OC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H24O2S/c1-20(2,23-19(22)16-10-6-4-7-11-16)18-14-15-21(18,3)24-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3/t18-,21+/m1/s1