3-cyclopentyl-2-(4-methylsulfonylphenyl)-5-(propanoylamino)-2H-1,3-thiazole-4-carboxylic acid

Systemtic Name: 3-cyclopentyl-2-(4-methylsulfonylphenyl)-5-(propanoylamino)-2H-1,3-thiazole-4-carboxylic acid Openeye Name: 3-cyclopentyl-2-(4-methylsulfonylphenyl)-5-(propanoylamino)-2H-thiazole-4-carboxylic acid CAS Name: 3-cyclopentyl-2-(4-methylsulfonylphenyl)-5-(1-oxopropylamino)-2H-thiazole-4-carboxylic acid IUPAC Name: 3-cyclopentyl-2-(4-methylsulfonylphenyl)-5-(propanoylamino)-2H-1,3-thiazole-4-carboxylic acid Traditional Name: 3-cyclopentyl-2-(4-mesylphenyl)-5-propionamido-4-thiazoline-4-carboxylic acid Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N(C(S1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCC3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(N(C(S1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCC3)C(=O)O

InChI

InChI=1S/C19H24N2O5S2/c1-3-15(22)20-17-16(19(23)24)21(13-6-4-5-7-13)18(27-17)12-8-10-14(11-9-12)28(2,25)26/h8-11,13,18H,3-7H2,1-2H3,(H,20,22)(H,23,24)