2-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(3-methylsulfonylpropanoylamino)thiazol-4-yl]acetic acid CAS Name: 2-[2-[(3-methylsulfonyl-1-oxopropyl)amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(3-mesylpropanoylamino)thiazol-4-yl]acetic acid Formula: C9H12N2O5S2 MolecularWeight: 292.33198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NC1=NC(=CS1)CC(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NC1=NC(=CS1)CC(=O)O

InChI

InChI=1S/C9H12N2O5S2/c1-18(15,16)3-2-7(12)11-9-10-6(5-17-9)4-8(13)14/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)