5-nitro-N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[4-(2-oxochromen-3-yl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(2-ketochromen-3-yl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H11N3O5S2 MolecularWeight: 449.45914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O5S2/c25-19(18-9-12-7-13(24(27)28)5-6-17(12)31-18)23-21-22-15(10-30-21)14-8-11-3-1-2-4-16(11)29-20(14)26/h1-10H,(H,22,23,25)