butyl 2-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(4-ethoxy-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-ethoxy-3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-ethoxy-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6S/c1-3-5-10-30-20(26)14-6-8-15-18(12-14)31-21(22-15)23-19(25)13-7-9-17(29-4-2)16(11-13)24(27)28/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,23,25)