dodecyl 2-(2,2-dimethylpropanoyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: dodecyl 2-(2,2-dimethylpropanoyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: dodecyl 2-(2,2-dimethylpropanoyl)-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-(2,2-dimethyl-1-oxopropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid dodecyl ester IUPAC Name: dodecyl 2-(2,2-dimethylpropanoyl)-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-pivaloyl-4H-1,4-benzothiazine-6-carboxylic acid lauryl ester Formula: C26H39NO4S MolecularWeight: 461.65716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)C(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)C(=O)C(C)(C)C

InChI

InChI=1S/C26H39NO4S/c1-5-6-7-8-9-10-11-12-13-14-17-31-25(30)19-15-16-21-20(18-19)27-24(29)22(32-21)23(28)26(2,3)4/h15-16,18,22H,5-14,17H2,1-4H3,(H,27,29)