(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N2O7S2/c1-14-16(23-21(31-14)20-5-3-11-32-20)13-30-22(25)17-4-2-8-24(17)33(26,27)15-6-7-18-19(12-15)29-10-9-28-18/h3,5-7,11-12,17H,2,4,8-10,13H2,1H3/t17-/m0/s1