5-ethoxy-2-ethyl-4-ethylsulfonyl-6-(4-nitrophenyl)-1-oxidanylidene-N-propyl-2H-1,3-benzothiazol-3-amine

Systemtic Name: 5-ethoxy-2-ethyl-4-ethylsulfonyl-6-(4-nitrophenyl)-1-oxidanylidene-N-propyl-2H-1,3-benzothiazol-3-amine Openeye Name: 5-ethoxy-2-ethyl-4-ethylsulfonyl-6-(4-nitrophenyl)-1-oxo-N-propyl-2H-1,3-benzothiazol-3-amine CAS Name: 5-ethoxy-2-ethyl-4-ethylsulfonyl-6-(4-nitrophenyl)-1-oxo-N-propyl-2H-1,3-benzothiazol-3-amine IUPAC Name: 5-ethoxy-2-ethyl-4-ethylsulfonyl-6-(4-nitrophenyl)-1-oxo-N-propyl-2H-1,3-benzothiazol-3-amine Traditional Name: [4-esyl-5-ethoxy-2-ethyl-1-keto-6-(4-nitrophenyl)-2H-1,3-benzothiazol-3-yl]-propyl-amine Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCCNN1C(S(=O)C2=C1C(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])OCC)S(=O)(=O)CC)CC

Isomeric SMILES

CCCNN1C(S(=O)C2=C1C(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])OCC)S(=O)(=O)CC)CC

InChI

InChI=1S/C22H29N3O6S2/c1-5-13-23-24-19(6-2)32(28)18-14-17(15-9-11-16(12-10-15)25(26)27)21(31-7-3)22(20(18)24)33(29,30)8-4/h9-12,14,19,23H,5-8,13H2,1-4H3