2-(2,2-dimethyl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(2,2-dimethyl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(2,2-dimethyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-(2,2-dimethyl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 2-(2,2-dimethyl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(2,2-dimethyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)N(C2=CC=CC=C2O1)CC(=O)O)C

Isomeric SMILES

CC1(C(=S)N(C2=CC=CC=C2O1)CC(=O)O)C

InChI

InChI=1S/C12H13NO3S/c1-12(2)11(17)13(7-10(14)15)8-5-3-4-6-9(8)16-12/h3-6H,7H2,1-2H3,(H,14,15)