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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(4-methyl-5-piperonyl-thiazol-2-yl)butyramide Formula: C23H20N4O7S MolecularWeight: 496.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N4O7S/c1-13-20(10-14-4-7-17-19(9-14)33-12-32-17)35-22(24-13)25-21(28)3-2-8-26-16-6-5-15(27(30)31)11-18(16)34-23(26)29/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,24,25,28)