methyl 2-morpholin-4-yl-4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-morpholin-4-yl-4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-morpholino-4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiazole-5-carboxylate CAS Name: 2-(4-morpholinyl)-4-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-morpholin-4-yl-4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]-2-morpholino-thiazole-5-carboxylic acid methyl ester Formula: C20H21N5O8S MolecularWeight: 491.47444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)N2CCOCC2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC(=O)C1=C(N=C(S1)N2CCOCC2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H21N5O8S/c1-31-18(27)16-17(22-19(34-16)23-7-9-32-10-8-23)21-15(26)3-2-6-24-13-5-4-12(25(29)30)11-14(13)33-20(24)28/h4-5,11H,2-3,6-10H2,1H3,(H,21,26)