N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[4-(4-fluorophenyl)-5-methyl-2-thiazolyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H17FN4O5S MolecularWeight: 456.446883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4O5S/c1-12-19(13-4-6-14(22)7-5-13)24-20(32-12)23-18(27)3-2-10-25-16-9-8-15(26(29)30)11-17(16)31-21(25)28/h4-9,11H,2-3,10H2,1H3,(H,23,24,27)