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

Systemtic Name: ethyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H25N5O5S2 MolecularWeight: 539.6265

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H25N5O5S2/c1-3-30-21-12-9-19(24(32)35-4-2)17-22(21)36-25(30)28-23(31)18-7-10-20(11-8-18)37(33,34)29(15-5-13-26)16-6-14-27/h7-12,17H,3-6,15-16H2,1-2H3