N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxo-chromene-2-carboxamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide Traditional Name: 4-keto-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)chromene-2-carboxamide Formula: C21H14N2O5S2 MolecularWeight: 438.47626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)S2)CC#C

InChI

InChI=1S/C21H14N2O5S2/c1-3-10-23-15-9-8-13(30(2,26)27)11-19(15)29-21(23)22-20(25)18-12-16(24)14-6-4-5-7-17(14)28-18/h1,4-9,11-12H,10H2,2H3