(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C22H23NO4S3 MolecularWeight: 461.61732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CSC(=N3)C4=CSC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CSC(=N3)C4=CSC=C4)C

InChI

InChI=1S/C22H23NO4S3/c1-15-5-6-19(11-16(15)2)30(25,26)22(8-3-4-9-22)21(24)27-12-18-14-29-20(23-18)17-7-10-28-13-17/h5-7,10-11,13-14H,3-4,8-9,12H2,1-2H3