ethyl 2-[2-[(7-methoxy-1-benzofuran-2-yl)carbonylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(7-methoxy-1-benzofuran-2-yl)carbonylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(7-methoxybenzofuran-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(7-methoxy-2-benzofuranyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(7-methoxy-1-benzofuran-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(7-methoxybenzofuran-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C21H17N3O7S/c1-3-30-18(25)11-23-14-10-13(24(27)28)7-8-17(14)32-21(23)22-20(26)16-9-12-5-4-6-15(29-2)19(12)31-16/h4-10H,3,11H2,1-2H3