4-methoxy-3-[(7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)sulfonylamino]benzoate

Systemtic Name: 4-methoxy-3-[(7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)sulfonylamino]benzoate Openeye Name: 4-methoxy-3-[(7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)sulfonylamino]benzoate CAS Name: 4-methoxy-3-[(7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)sulfonylamino]benzoate IUPAC Name: 4-methoxy-3-[(7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)sulfonylamino]benzoate Traditional Name: 3-[(5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)sulfonylamino]-4-methoxy-benzoate Formula: C15H13N3O6S2 MolecularWeight: 395.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=C(C=CC(=C3)C(=O)[O-])OC

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=C(C=CC(=C3)C(=O)[O-])OC

InChI

InChI=1S/C15H13N3O6S2/c1-8-12(13(19)18-5-6-25-15(18)16-8)26(22,23)17-10-7-9(14(20)21)3-4-11(10)24-2/h3-7,17H,1-2H3,(H,20,21)