(2-azanyl-2-oxidanylidene-ethyl) (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C15H18N2O8S MolecularWeight: 386.37702

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC3C(=O)OCC(=O)N)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3C[C@@H](C[C@H]3C(=O)OCC(=O)N)O

InChI

InChI=1S/C15H18N2O8S/c16-14(19)8-25-15(20)11-5-9(18)7-17(11)26(21,22)10-1-2-12-13(6-10)24-4-3-23-12/h1-2,6,9,11,18H,3-5,7-8H2,(H2,16,19)/t9-,11+/m1/s1