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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(3-thienyl)thiazol-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 [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-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 [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H20N2O6S3 MolecularWeight: 492.5883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CSC(=N4)C5=CSC=C5

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CSC(=N4)C5=CSC=C5

InChI

InChI=1S/C21H20N2O6S3/c24-21(29-11-15-13-31-20(22-15)14-5-9-30-12-14)17-2-1-6-23(17)32(25,26)16-3-4-18-19(10-16)28-8-7-27-18/h3-5,9-10,12-13,17H,1-2,6-8,11H2/t17-/m0/s1