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

Systemtic Name: methyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(dibutylsulfamoyl)phenyl]-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H33N3O5S2 MolecularWeight: 531.68732

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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)C)CC(=O)OC

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CC(=O)OC

InChI

InChI=1S/C26H33N3O5S2/c1-5-7-15-28(16-8-6-2)36(32,33)21-12-10-20(11-13-21)25(31)27-26-29(18-24(30)34-4)22-14-9-19(3)17-23(22)35-26/h9-14,17H,5-8,15-16,18H2,1-4H3