3,5-bis(propylsulfanyl)-1,2-thiazole-4-carboxylate

Systemtic Name: 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carboxylate Openeye Name: 3,5-bis(propylsulfanyl)isothiazole-4-carboxylate CAS Name: 3,5-bis(propylthio)-4-isothiazolecarboxylate IUPAC Name: 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carboxylate Traditional Name: 3,5-bis(propylthio)isothiazole-4-carboxylate Formula: C10H14NO2S3- MolecularWeight: 276.41866

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=NS1)SCCC)C(=O)[O-]

Isomeric SMILES

CCCSC1=C(C(=NS1)SCCC)C(=O)[O-]

InChI

InChI=1S/C10H15NO2S3/c1-3-5-14-8-7(9(12)13)10(16-11-8)15-6-4-2/h3-6H2,1-2H3,(H,12,13)/p-1