N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-methyl-butyramide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H20N4O5S/c1-13(20-22-15-6-3-4-7-18(15)31-20)23(2)19(26)8-5-11-24-16-10-9-14(25(28)29)12-17(16)30-21(24)27/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3