ethyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(dibutylsulfamoyl)phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H32N4O7S2 MolecularWeight: 576.68488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C26H32N4O7S2/c1-4-7-15-28(16-8-5-2)39(35,36)21-12-9-19(10-13-21)25(32)27-26-29(18-24(31)37-6-3)22-14-11-20(30(33)34)17-23(22)38-26/h9-14,17H,4-8,15-16,18H2,1-3H3