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

Systemtic Name: ethyl 2-[4-[ethyl(phenyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[ethyl(phenyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H25N3O5S2 MolecularWeight: 547.6452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)CC#C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)CC#C

InChI

InChI=1S/C28H25N3O5S2/c1-4-18-30-24-17-14-21(27(33)36-6-3)19-25(24)37-28(30)29-26(32)20-12-15-23(16-13-20)38(34,35)31(5-2)22-10-8-7-9-11-22/h1,7-17,19H,5-6,18H2,2-3H3