7-ethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

Systemtic Name: 7-ethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide Openeye Name: 7-ethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzofuran-2-carboxamide CAS Name: 7-ethoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-benzofurancarboxamide IUPAC Name: 7-ethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide Traditional Name: 7-ethoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]coumarilamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCSC

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCSC

InChI

InChI=1S/C21H19N3O5S2/c1-3-28-16-6-4-5-13-11-17(29-19(13)16)20(25)22-21-23(9-10-30-2)15-8-7-14(24(26)27)12-18(15)31-21/h4-8,11-12H,3,9-10H2,1-2H3