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

Systemtic Name: 4-[(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(6-chloro-3-keto-1,4-benzoxazin-4-yl)methyl]thiazole-2-carboxylic acid Formula: C13H9ClN2O4S MolecularWeight: 324.73956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C13H9ClN2O4S/c14-7-1-2-10-9(3-7)16(11(17)5-20-10)4-8-6-21-12(15-8)13(18)19/h1-3,6H,4-5H2,(H,18,19)