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

Systemtic Name: 3,5-bis(cyclopropylmethyl)-2H-1,2-thiazole-3,4-dicarboxylic acid Openeye Name: 3,5-bis(cyclopropylmethyl)-2H-isothiazole-3,4-dicarboxylic acid CAS Name: 3,5-bis(cyclopropylmethyl)-2H-isothiazole-3,4-dicarboxylic acid IUPAC Name: 3,5-bis(cyclopropylmethyl)-2H-1,2-thiazole-3,4-dicarboxylic acid Traditional Name: 3,5-bis(cyclopropylmethyl)-4-isothiazoline-3,4-dicarboxylic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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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)