[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C13H13N3O3S/c1-7-5-8(7)13(18)19-6-11(17)14-9-3-2-4-10-12(9)16-20-15-10/h2-4,7-8H,5-6H2,1H3,(H,14,17)/t7-,8-/m0/s1