2,2-diethoxy-3-oxidanylidene-propanoic acid; 2-ethyl-3H-1,2,3-benzothiadiazole

Systemtic Name: 2,2-diethoxy-3-oxidanylidene-propanoic acid; 2-ethyl-3H-1,2,3-benzothiadiazole Openeye Name: 2,2-diethoxy-3-oxo-propanoic acid; 2-ethyl-3H-1,2,3-benzothiadiazole CAS Name: 2,2-diethoxy-3-oxopropanoic acid; 2-ethyl-3H-1,2,3-benzothiadiazole IUPAC Name: 2,2-diethoxy-3-oxopropanoic acid; 2-ethyl-3H-1,2,3-benzothiadiazole Traditional Name: 2,2-diethoxy-3-keto-propionic acid; 2-ethyl-3H-1,2,3-benzothiadiazole Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1NC2=CC=CC=C2S1.CCOC(C=O)(C(=O)O)OCC

Isomeric SMILES

CCN1NC2=CC=CC=C2S1.CCOC(C=O)(C(=O)O)OCC

InChI

InChI=1S/C8H10N2S.C7H12O5/c1-2-10-9-7-5-3-4-6-8(7)11-10;1-3-11-7(5-8,6(9)10)12-4-2/h3-6,9H,2H2,1H3;5H,3-4H2,1-2H3,(H,9,10)