[(2R,3R,4S)-3-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R,4S)-3-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R,4S)-4-(benzyloxycarbonylamino)-3-hydroxy-5-oxo-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,4S)-3-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S)-3-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)oxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,4S)-4-(benzyloxycarbonylamino)-3-hydroxy-5-keto-tetrahydrofuran-2-yl]methyl ester Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(=O)O2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]([C@@H](C(=O)O2)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO8S/c1-13-7-9-15(10-8-13)30(25,26)28-12-16-18(22)17(19(23)29-16)21-20(24)27-11-14-5-3-2-4-6-14/h2-10,16-18,22H,11-12H2,1H3,(H,21,24)/t16-,17+,18+/m1/s1