2-oxidanylidene-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide Openeye Name: 2-oxo-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide CAS Name: 2-oxo-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzopyran-3-carboxamide IUPAC Name: 2-oxo-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide Traditional Name: 2-keto-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide Formula: C20H13N3O5S2 MolecularWeight: 439.46432

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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=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H13N3O5S2/c1-2-9-23-15-8-7-13(30(21,26)27)11-17(15)29-20(23)22-18(24)14-10-12-5-3-4-6-16(12)28-19(14)25/h1,3-8,10-11H,9H2,(H2,21,26,27)