4-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[4-(2,3-dihydrobenzofuran-5-yl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[4-(2,3-dihydrobenzofuran-5-yl)-2-thiazolyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(4-coumaran-5-ylthiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H16N4O5S2 MolecularWeight: 456.49484

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S2/c21-19(26)13-2-4-17(15(8-13)24(27)28)30-10-18(25)23-20-22-14(9-31-20)11-1-3-16-12(7-11)5-6-29-16/h1-4,7-9H,5-6,10H2,(H2,21,26)(H,22,23,25)