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

Systemtic Name: ethyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H23N5O5S2 MolecularWeight: 525.59992

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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(CCC#N)CCC#N)S2)C

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O5S2/c1-3-34-23(31)18-8-11-20-21(16-18)35-24(28(20)2)27-22(30)17-6-9-19(10-7-17)36(32,33)29(14-4-12-25)15-5-13-26/h6-11,16H,3-5,14-15H2,1-2H3