(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC3=CSC(=N3)C4=CSC=C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC3=CSC(=N3)C4=CSC=C4)O)C

InChI

InChI=1S/C21H22N2O5S3/c1-13-3-4-18(7-14(13)2)31(26,27)23-9-17(24)8-19(23)21(25)28-10-16-12-30-20(22-16)15-5-6-29-11-15/h3-7,11-12,17,19,24H,8-10H2,1-2H3