3,5-bis(cyclopropylmethyl)-2H-1,2-thiazole-3,4-dicarboxylate

Systemtic Name: 3,5-bis(cyclopropylmethyl)-2H-1,2-thiazole-3,4-dicarboxylate Openeye Name: 3,5-bis(cyclopropylmethyl)-2H-isothiazole-3,4-dicarboxylate CAS Name: 3,5-bis(cyclopropylmethyl)-2H-isothiazole-3,4-dicarboxylate IUPAC Name: 3,5-bis(cyclopropylmethyl)-2H-1,2-thiazole-3,4-dicarboxylate Traditional Name: 3,5-bis(cyclopropylmethyl)-4-isothiazoline-3,4-dicarboxylate Formula: C13H15NO4S-2 MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=C(C(NS2)(CC3CC3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC1CC2=C(C(NS2)(CC3CC3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H17NO4S/c15-11(16)10-9(5-7-1-2-7)19-14-13(10,12(17)18)6-8-3-4-8/h7-8,14H,1-6H2,(H,15,16)(H,17,18)/p-2