3-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoic acid Openeye Name: 3-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoic acid CAS Name: 3-[[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoic acid Traditional Name: 3-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-carbonyl)amino]benzoic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(SCCO1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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