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

Systemtic Name: ethyl 2-[2-(2-methylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-methylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(2-methyl-1-oxopropyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-isobutyrylimino-6-nitro-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C)C

InChI

InChI=1S/C15H17N3O5S/c1-4-23-13(19)8-17-11-6-5-10(18(21)22)7-12(11)24-15(17)16-14(20)9(2)3/h5-7,9H,4,8H2,1-3H3