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

Systemtic Name: 3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)-4-methyl-benzoic acid Openeye Name: 3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)-4-methyl-benzoic acid CAS Name: 3-[[2,3-dihydro-1,4-oxathiin-6-yl(oxo)methyl]amino]-4-methylbenzoic acid IUPAC Name: 3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)-4-methylbenzoic acid Traditional Name: 3-(2,3-dihydro-1,4-oxathiin-6-carbonylamino)-4-methyl-benzoic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CSCCO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CSCCO2

InChI

InChI=1S/C13H13NO4S/c1-8-2-3-9(13(16)17)6-10(8)14-12(15)11-7-19-5-4-18-11/h2-3,6-7H,4-5H2,1H3,(H,14,15)(H,16,17)