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

Systemtic Name: methyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H21N5O5S2 MolecularWeight: 511.57334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C23H21N5O5S2/c1-27-19-10-7-17(22(30)33-2)15-20(19)34-23(27)26-21(29)16-5-8-18(9-6-16)35(31,32)28(13-3-11-24)14-4-12-25/h5-10,15H,3-4,13-14H2,1-2H3