ethyl 2-[2-[(7-methoxy-1-benzofuran-2-yl)carbonylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(7-methoxy-1-benzofuran-2-yl)carbonylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(7-methoxybenzofuran-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(7-methoxy-2-benzofuranyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(7-methoxy-1-benzofuran-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(7-methoxybenzofuran-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O7S/c1-3-30-18(25)11-23-14-8-7-13(24(27)28)10-17(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