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

Systemtic Name: methyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H23N5O5S2 MolecularWeight: 537.61062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O5S2/c1-3-14-30-21-11-8-19(24(32)35-2)17-22(21)36-25(30)28-23(31)18-6-9-20(10-7-18)37(33,34)29(15-4-12-26)16-5-13-27/h3,6-11,17H,1,4-5,14-16H2,2H3