[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C17H18ClN3O6S MolecularWeight: 427.85932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NOC(=C1)NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3O6S/c1-11-9-16(27-20-11)19-15(22)10-26-17(23)14-3-2-8-21(14)28(24,25)13-6-4-12(18)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H,19,22)/t14-/m0/s1