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

Systemtic Name: ethyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-2-25-16(22)11-5-7-19(8-6-11)15(21)10-26-17-18-13-4-3-12(20(23)24)9-14(13)27-17/h3-4,9,11H,2,5-8,10H2,1H3