butyl 2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-nitro-2-pyrrolidino-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H24N4O5S/c1-2-3-12-32-22(29)15-6-8-18-20(13-15)33-23(24-18)25-21(28)17-14-16(27(30)31)7-9-19(17)26-10-4-5-11-26/h6-9,13-14H,2-5,10-12H2,1H3,(H,24,25,28)