N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[4-(2,3-dihydrobenzofuran-5-yl)thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4-(2,3-dihydrobenzofuran-5-yl)-2-thiazolyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-coumaran-5-ylthiazol-2-yl)-4-(methylthio)-3-nitro-benzamide Formula: C19H15N3O4S2 MolecularWeight: 413.4701

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O4S2/c1-27-17-5-3-13(9-15(17)22(24)25)18(23)21-19-20-14(10-28-19)11-2-4-16-12(8-11)6-7-26-16/h2-5,8-10H,6-7H2,1H3,(H,20,21,23)