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

Systemtic Name: 2-chloranyl-4-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoic acid Openeye Name: 2-chloro-4-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoic acid CAS Name: 2-chloro-4-[[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoic acid Traditional Name: 2-chloro-4-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-carbonyl)amino]benzoic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO4S/c1-7-11(20-5-4-19-7)12(16)15-8-2-3-9(13(17)18)10(14)6-8/h2-3,6H,4-5H2,1H3,(H,15,16)(H,17,18)