ethyl 4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-tert-butyl-6-nitro-1,3-benzothiazol-5-yl)piperazine-1-carboxylic acid ethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4S/c1-5-26-17(23)21-8-6-20(7-9-21)13-10-12-15(11-14(13)22(24)25)27-16(19-12)18(2,3)4/h10-11H,5-9H2,1-4H3