3-[[(1S,2S,5R)-2-methylsulfanyl-5-(phenylcarbonyloxy)cyclopent-3-en-1-yl]amino]propyl benzoate

Systemtic Name: 3-[[(1S,2S,5R)-2-methylsulfanyl-5-(phenylcarbonyloxy)cyclopent-3-en-1-yl]amino]propyl benzoate Openeye Name: 3-[[(1S,2R,5S)-2-benzoyloxy-5-methylsulfanyl-cyclopent-3-en-1-yl]amino]propyl benzoate CAS Name: benzoic acid 3-[[(1S,2R,5S)-2-benzoyloxy-5-(methylthio)-1-cyclopent-3-enyl]amino]propyl ester IUPAC Name: 3-[[(1S,2R,5S)-2-benzoyloxy-5-methylsulfanylcyclopent-3-en-1-yl]amino]propyl benzoate Traditional Name: benzoic acid 3-[[(1S,2R,5S)-2-benzoyloxy-5-(methylthio)cyclopent-3-en-1-yl]amino]propyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C=CC(C1NCCCOC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4S/c1-29-20-14-13-19(28-23(26)18-11-6-3-7-12-18)21(20)24-15-8-16-27-22(25)17-9-4-2-5-10-17/h2-7,9-14,19-21,24H,8,15-16H2,1H3/t19-,20+,21+/m1/s1