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

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxo-chromene-3-carboxamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide Traditional Name: 4-keto-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide Formula: C20H11N3O5S MolecularWeight: 405.38344

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H11N3O5S/c1-2-9-22-15-8-7-12(23(26)27)10-17(15)29-20(22)21-19(25)14-11-28-16-6-4-3-5-13(16)18(14)24/h1,3-8,10-11H,9H2