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

Systemtic Name: (phenylmethyl) (4Z)-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-3-oxidanylidene-butanoate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(=O)C=C2C3=CC=CC=C3S(=O)(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(=O)/C=C\2/C3=CC=CC=C3S(=O)(=O)N2

InChI

InChI=1S/C18H15NO5S/c20-14(11-18(21)24-12-13-6-2-1-3-7-13)10-16-15-8-4-5-9-17(15)25(22,23)19-16/h1-10,19H,11-12H2/b16-10-