ethyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-6-chloranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-6-chloranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-6-chloro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]imino-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-6-chloro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H22ClN5O5S2 MolecularWeight: 560.04498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5O5S2/c1-2-35-22(31)16-30-20-10-7-18(25)15-21(20)36-24(30)28-23(32)17-5-8-19(9-6-17)37(33,34)29(13-3-11-26)14-4-12-27/h5-10,15H,2-4,13-14,16H2,1H3