ethyl 2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(dibutylsulfamoyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(dibutylsulfamoyl)phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(dibutylsulfamoyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(dibutylsulfamoyl)benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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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(=O)OCC)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O5S2/c1-5-9-18-30(19-10-6-2)38(34,35)23-14-11-21(12-15-23)26(32)29-28-31(17-7-3)24-16-13-22(20-25(24)37-28)27(33)36-8-4/h3,11-16,20H,5-6,8-10,17-19H2,1-2,4H3