S-phenyl 5-[(2R,3S,4R)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-2-methyl-furan-3-carbothioate

Systemtic Name: S-phenyl 5-[(2R,3S,4R)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-2-methyl-furan-3-carbothioate Openeye Name: S-phenyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-furan-3-carbothioate CAS Name: 5-[(2R,3S,4R)-3,4-dihydroxy-2-pyrrolidinyl]-2-methyl-3-furancarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carbothioate Traditional Name: 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-furan-3-carbothioic acid S-phenyl ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2C(C(CN2)O)O)C(=O)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(O1)[C@H]2[C@@H]([C@@H](CN2)O)O)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C16H17NO4S/c1-9-11(16(20)22-10-5-3-2-4-6-10)7-13(21-9)14-15(19)12(18)8-17-14/h2-7,12,14-15,17-19H,8H2,1H3/t12-,14+,15-/m1/s1