[(1S,2R,3R,4S,5R)-4-acetamido-3-methylsulfanyl-2-oxidanyl-5-(phenylcarbamoyloxy)cyclopentyl] ethanoate

Systemtic Name: [(1S,2R,3R,4S,5R)-4-acetamido-3-methylsulfanyl-2-oxidanyl-5-(phenylcarbamoyloxy)cyclopentyl] ethanoate Openeye Name: [(1S,2R,3R,4S,5R)-4-acetamido-2-hydroxy-3-methylsulfanyl-5-(phenylcarbamoyloxy)cyclopentyl] acetate CAS Name: acetic acid [(1S,2R,3S,4R,5R)-3-acetamido-2-[anilino(oxo)methoxy]-5-hydroxy-4-(methylthio)cyclopentyl] ester IUPAC Name: [(1S,2R,3R,4S,5R)-4-acetamido-2-hydroxy-3-methylsulfanyl-5-(phenylcarbamoyloxy)cyclopentyl] acetate Traditional Name: acetic acid [(1S,2R,3R,4S,5R)-4-acetamido-2-hydroxy-3-(methylthio)-5-(phenylcarbamoyloxy)cyclopentyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(C1SC)O)OC(=O)C)OC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H]1[C@H]([C@H]([C@H]([C@@H]1SC)O)OC(=O)C)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O6S/c1-9(20)18-12-14(15(24-10(2)21)13(22)16(12)26-3)25-17(23)19-11-7-5-4-6-8-11/h4-8,12-16,22H,1-3H3,(H,18,20)(H,19,23)/t12-,13+,14+,15-,16+/m0/s1