3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)benzoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)benzoic acid Openeye Name: 3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)benzoic acid CAS Name: 3-[[2,3-dihydro-1,4-oxathiin-6-yl(oxo)methyl]amino]benzoic acid IUPAC Name: 3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)benzoic acid Traditional Name: 3-(2,3-dihydro-1,4-oxathiin-6-carbonylamino)benzoic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CSC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H11NO4S/c14-11(10-7-18-5-4-17-10)13-9-3-1-2-8(6-9)12(15)16/h1-3,6-7H,4-5H2,(H,13,14)(H,15,16)