methyl (4Z)-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (4Z)-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (4Z)-4-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-3-oxo-butanoate CAS Name: (4Z)-4-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl (4Z)-4-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-3-oxobutanoate Traditional Name: (4Z)-4-(1,1-diketo-1,2-benzothiazol-3-ylidene)-3-keto-butyric acid methyl ester Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C=C1C2=CC=CC=C2S(=O)(=O)N1

Isomeric SMILES

COC(=O)CC(=O)/C=C\1/C2=CC=CC=C2S(=O)(=O)N1

InChI

InChI=1S/C12H11NO5S/c1-18-12(15)7-8(14)6-10-9-4-2-3-5-11(9)19(16,17)13-10/h2-6,13H,7H2,1H3/b10-6-