methyl 1-[2-[(2-azanyl-1,3-thiazol-5-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-azanyl-1,3-thiazol-5-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-aminothiazol-5-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2-amino-5-thiazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2-aminothiazol-5-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=CN=C(S2)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=CN=C(S2)N

InChI

InChI=1S/C12H17N3O3S2/c1-18-11(17)8-2-4-15(5-3-8)9(16)7-19-10-6-14-12(13)20-10/h6,8H,2-5,7H2,1H3,(H2,13,14)