5-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide Openeye Name: 5-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)isoxazole-3-carboxamide CAS Name: 5-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-3-isoxazolecarboxamide IUPAC Name: 5-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide Traditional Name: 5-phenyl-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)isoxazole-3-carboxamide Formula: C20H14N4O4S2 MolecularWeight: 438.47956

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H14N4O4S2/c1-2-10-24-16-9-8-14(30(21,26)27)11-18(16)29-20(24)22-19(25)15-12-17(28-23-15)13-6-4-3-5-7-13/h1,3-9,11-12H,10H2,(H2,21,26,27)