2-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]thiazole-4-carboxylic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C18H20N2O4S/c1-4-18(2,3)11-5-6-14-13(7-11)20(16(21)9-24-14)8-15-19-12(10-25-15)17(22)23/h5-7,10H,4,8-9H2,1-3H3,(H,22,23)