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

Systemtic Name: ethyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H23N5O5S2 MolecularWeight: 549.62132

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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)CC#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)CC#C

InChI

InChI=1S/C26H23N5O5S2/c1-3-15-31-22-12-9-20(25(33)36-4-2)18-23(22)37-26(31)29-24(32)19-7-10-21(11-8-19)38(34,35)30(16-5-13-27)17-6-14-28/h1,7-12,18H,4-6,15-17H2,2H3