2-[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]thio]benzoic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N2O5S/c1-20-18(23)15-10-21(13-7-3-4-8-14(13)26-15)17(22)11-27-16-9-5-2-6-12(16)19(24)25/h2-9,15H,10-11H2,1H3,(H,20,23)(H,24,25)