3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]prop-2-ynoic acid

Systemtic Name: 3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]prop-2-ynoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)ethylsulfonyl]prop-2-ynoic acid CAS Name: 3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]-2-propynoic acid IUPAC Name: 3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]prop-2-ynoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)ethylsulfonyl]propiolic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)C#CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)C#CC(=O)O

InChI

InChI=1S/C13H13NO6S/c15-12(16)6-8-21(18,19)9-7-14-13(17)20-10-11-4-2-1-3-5-11/h1-5H,7,9-10H2,(H,14,17)(H,15,16)