ethyl 2-[2-(4-ethoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-ethoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-ethoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-ethoxyphenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ethoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C20H19N3O6S/c1-3-28-15-8-5-13(6-9-15)19(25)21-20-22(12-18(24)29-4-2)16-11-14(23(26)27)7-10-17(16)30-20/h5-11H,3-4,12H2,1-2H3