[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=NOC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC3=NOC=C3

InChI

InChI=1S/C17H19N3O6S/c1-12-4-6-13(7-5-12)27(23,24)20-9-2-3-14(20)17(22)25-11-16(21)18-15-8-10-26-19-15/h4-8,10,14H,2-3,9,11H2,1H3,(H,18,19,21)/t14-/m0/s1