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

Systemtic Name: ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(diisobutylsulfamoyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(diisobutylsulfamoyl)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:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC(C)C)CC(C)C)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC(C)C)CC(C)C)S2)CC#C

InChI

InChI=1S/C28H33N3O5S2/c1-7-15-31-24-14-11-22(27(33)36-8-2)16-25(24)37-28(31)29-26(32)21-9-12-23(13-10-21)38(34,35)30(17-19(3)4)18-20(5)6/h1,9-14,16,19-20H,8,15,17-18H2,2-6H3