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

Systemtic Name: ethyl 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]piperidine-1-carboxylate CAS Name: 4-[[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]piperidine-1-carboxylate Traditional Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c1-2-26-16(23)20-7-5-10(6-8-20)17-14(22)19-15-18-12-4-3-11(21(24)25)9-13(12)27-15/h3-4,9-10H,2,5-8H2,1H3,(H2,17,18,19,22)