ethyl 1-ethyl-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H21N3O5S/c1-3-25-17-7-5-14(21(28)29-4-2)10-15(17)24-22(25)31-12-18(26)13-6-8-19-16(9-13)23-20(27)11-30-19/h5-10H,3-4,11-12H2,1-2H3,(H,23,27)