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

Systemtic Name: methyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(dibutylsulfamoyl)phenyl]-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C27H35N3O6S2 MolecularWeight: 561.7133

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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)OCC)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)OCC)CC(=O)OC

InChI

InChI=1S/C27H35N3O6S2/c1-5-8-16-29(17-9-6-2)38(33,34)22-13-10-20(11-14-22)26(32)28-27-30(19-25(31)35-4)23-15-12-21(36-7-3)18-24(23)37-27/h10-15,18H,5-9,16-17,19H2,1-4H3