butyl 2-[2-(2-nitrophenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[2-(2-nitrophenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c1-2-3-10-28-19(25)13-8-9-14-17(11-13)30-20(21-14)22-18(24)12-29-16-7-5-4-6-15(16)23(26)27/h4-9,11H,2-3,10,12H2,1H3,(H,21,22,24)