ethyl 3-[2-(2-methylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2-methylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2-methylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(2-methyl-1-oxopropyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-methylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-isobutyrylimino-6-nitro-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C)C

InChI

InChI=1S/C16H19N3O5S/c1-4-24-14(20)7-8-18-12-6-5-11(19(22)23)9-13(12)25-16(18)17-15(21)10(2)3/h5-6,9-10H,4,7-8H2,1-3H3