methyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S2/c1-24-15(21)10-4-6-18(7-5-10)14(20)9-25-16-17-12-3-2-11(19(22)23)8-13(12)26-16/h2-3,8,10H,4-7,9H2,1H3