2-methoxy-5-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 2-methoxy-5-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 2-methoxy-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 2-methoxy-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2-methoxy-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-[2-keto-2-(propargylamino)ethyl]sulfonyl-2-methoxy-benzoic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC(=O)NCC#C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC(=O)NCC#C)C(=O)O

InChI

InChI=1S/C13H13NO6S/c1-3-6-14-12(15)8-21(18,19)9-4-5-11(20-2)10(7-9)13(16)17/h1,4-5,7H,6,8H2,2H3,(H,14,15)(H,16,17)