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

Systemtic Name: ethyl 2-[4-[butyl(ethyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[butyl(ethyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[butyl(ethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[butyl(ethyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[butyl(ethyl)sulfamoyl]benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H29N3O5S2 MolecularWeight: 527.65556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC#C

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC#C

InChI

InChI=1S/C26H29N3O5S2/c1-5-9-17-28(7-3)36(32,33)21-13-10-19(11-14-21)24(30)27-26-29(16-6-2)22-15-12-20(18-23(22)35-26)25(31)34-8-4/h2,10-15,18H,5,7-9,16-17H2,1,3-4H3