(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S2/c21-16(13-6-7-15(25-13)20(22)23)24-11-4-5-12-14(10-11)26-17(18-12)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2