2-(2,2-dimethyldecanethioyl)-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylic acid

Systemtic Name: 2-(2,2-dimethyldecanethioyl)-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylic acid Openeye Name: 2-(2,2-dimethyldecanethioyl)-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid CAS Name: 2-(2,2-dimethyl-1-sulfanylidenedecyl)-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid IUPAC Name: 2-(2,2-dimethyldecanethioyl)-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid Traditional Name: 2-(2,2-dimethyldecanethioyl)-3-keto-4H-1,4-benzoxazine-6-carboxylic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(C)C(=S)C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCC(C)(C)C(=S)C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)O

InChI

InChI=1S/C21H29NO4S/c1-4-5-6-7-8-9-12-21(2,3)18(27)17-19(23)22-15-13-14(20(24)25)10-11-16(15)26-17/h10-11,13,17H,4-9,12H2,1-3H3,(H,22,23)(H,24,25)