2-[2-(3-cyanopropylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-(3-cyanopropylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-(3-cyanopropylsulfanyl)-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-(3-cyanopropylthio)-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-(3-cyanopropylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-(3-cyanopropylthio)-4-methyl-thiazol-5-yl]acetate Formula: C10H11N2O2S2- MolecularWeight: 255.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCCCC#N)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SCCCC#N)CC(=O)[O-]

InChI

InChI=1S/C10H12N2O2S2/c1-7-8(6-9(13)14)16-10(12-7)15-5-3-2-4-11/h2-3,5-6H2,1H3,(H,13,14)/p-1