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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=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

CCN1C2=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/C24H23N5O5S2/c1-3-29-20-11-8-18(23(31)34-2)16-21(20)35-24(29)27-22(30)17-6-9-19(10-7-17)36(32,33)28(14-4-12-25)15-5-13-26/h6-11,16H,3-5,14-15H2,1-2H3