ethyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]nipecotic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-2-26-16(23)11-4-3-7-20(9-11)10-15(22)19-17-18-13-6-5-12(21(24)25)8-14(13)27-17/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,18,19,22)