7-methoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide

Systemtic Name: 7-methoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide Openeye Name: 7-methoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzofuran-2-carboxamide CAS Name: 7-methoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-benzofurancarboxamide IUPAC Name: 7-methoxy-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide Traditional Name: 7-methoxy-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)coumarilamide Formula: C20H13N3O5S MolecularWeight: 407.39932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC#C

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC#C

InChI

InChI=1S/C20H13N3O5S/c1-3-9-22-14-8-7-13(23(25)26)11-17(14)29-20(22)21-19(24)16-10-12-5-4-6-15(27-2)18(12)28-16/h1,4-8,10-11H,9H2,2H3