[(4S)-4-benzamido-2-(5-methoxy-5-oxidanylidene-pentyl)thiolan-3-yl] benzoate

Systemtic Name: [(4S)-4-benzamido-2-(5-methoxy-5-oxidanylidene-pentyl)thiolan-3-yl] benzoate Openeye Name: [(4S)-4-benzamido-2-(5-methoxy-5-oxo-pentyl)tetrahydrothiophen-3-yl] benzoate CAS Name: benzoic acid [(4S)-4-benzamido-2-(5-methoxy-5-oxopentyl)-3-thiolanyl] ester IUPAC Name: [(4S)-4-benzamido-2-(5-methoxy-5-oxopentyl)thiolan-3-yl] benzoate Traditional Name: benzoic acid [(4S)-4-benzamido-2-(5-keto-5-methoxy-pentyl)tetrahydrothiophen-3-yl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C(C(CS1)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCC1C([C@@H](CS1)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO5S/c1-29-21(26)15-9-8-14-20-22(30-24(28)18-12-6-3-7-13-18)19(16-31-20)25-23(27)17-10-4-2-5-11-17/h2-7,10-13,19-20,22H,8-9,14-16H2,1H3,(H,25,27)/t19-,20?,22?/m1/s1